dibutyl-(3,3-dimethyl-2-oxobutyl)sulfanium;dibutyl(2-oxobutyl)sulfanium;diethyl(2-oxopropyl)sulfanium;diethyl(phenacyl)sulfanium;3,3-dimethyl-1-(1,4-oxathian-4-ium-4-yl)butan-2-one;dimethyl(2-oxopropyl)sulfanium;dimethyl(phenacyl)sulfanium;3,3-dimethyl-1-(thian-1-ium-1-yl)butan-2-one;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;5,5-dimethyl-3-(thiolan-1-ium-1-ylmethyl)cyclohex-2-en-1-one;1-(1,4-oxathian-4-ium-4-yl)butan-2-one;2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone;1-phenyl-2-(thian-1-ium-1-yl)ethanone;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;1-(thian-1-ium-1-yl)butan-2-one;1-(thiolan-1-ium-1-yl)butan-2-one;2-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one;6-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one;1-(thiolan-1-ium-1-yl)propan-2-one

C193H327O22S19+19 — CID 158776015

IUPACdibutyl-(3,3-dimethyl-2-oxobutyl)sulfanium;dibutyl(2-oxobutyl)sulfanium;diethyl(2-oxopropyl)sulfanium;diethyl(phenacyl)sulfanium;3,3-dimethyl-1-(1,4-oxathian-4-ium-4-yl)butan-2-one;dimethyl(2-oxopropyl)sulfanium;dimethyl(phenacyl)sulfanium;3,3-dimethyl-1-(thian-1-ium-1-yl)butan-2-one;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;5,5-dimethyl-3-(thiolan-1-ium-1-ylmethyl)cyclohex-2-en-1-one;1-(1,4-oxathian-4-ium-4-yl)butan-2-one;2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone;1-phenyl-2-(thian-1-ium-1-yl)ethanone;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;1-(thian-1-ium-1-yl)butan-2-one;1-(thiolan-1-ium-1-yl)butan-2-one;2-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one;6-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one;1-(thiolan-1-ium-1-yl)propan-2-one
SMILESCC(=O)C[S+](C)C.CC(=O)C[S+]1CCCC1.CC(C)(C)C(=O)C[S+]1CCCC1.CC(C)(C)C(=O)C[S+]1CCCCC1.CC(C)(C)C(=O)C[S+]1CCOCC1.CC1(C)CC(=O)C=C(C[S+]2CCCC2)C1.CCC(=O)C[S+]1CCCC1.CCC(=O)C[S+]1CCCCC1.CCC(=O)C[S+]1CCOCC1.CCCC[S+](CCCC)CC(=O)C(C)(C)C.CCCC[S+](CCCC)CC(=O)CC.CC[S+](CC)CC(=O)c1ccccc1.CC[S+](CC)CC(C)=O.C[S+](C)CC(=O)c1ccccc1.O=C(C[S+]1CCCC1)c1ccccc1.O=C(C[S+]1CCCCC1)c1ccccc1.O=C(C[S+]1CCOCC1)c1ccccc1.O=C1C=CCCC1[S+]1CCCC1.O=C1CCCC=C1[S+]1CCCC1
InChIInChI=1S/C14H29OS.C13H21OS.C13H17OS.C12H15O2S.C12H15OS.C12H17OS.C12H25OS.C11H21OS.C10H19O2S.2C10H15OS.C10H19OS.C10H13OS.C9H17OS.C8H15O2S.C8H15OS.C7H13OS.C7H15OS.C5H11OS/c1-6-8-10-16(11-9-7-2)12-13(15)14(3,4)5;1-13(2)8-11(7-12(14)9-13)10-15-5-3-4-6-15;14-13(12-7-3-1-4-8-12)11-15-9-5-2-6-10-15;13-12(11-4-2-1-3-5-11)10-15-8-6-14-7-9-15;13-12(10-14-8-4-5-9-14)11-6-2-1-3-7-11;1-3-14(4-2)10-12(13)11-8-6-5-7-9-11;1-4-7-9-14(10-8-5-2)11-12(13)6-3;1-11(2,3)10(12)9-13-7-5-4-6-8-13;1-10(2,3)9(11)8-13-6-4-12-5-7-13;2*11-9-5-1-2-6-10(9)12-7-3-4-8-12;1-10(2,3)9(11)8-12-6-4-5-7-12;1-12(2)8-10(11)9-6-4-3-5-7-9;1-2-9(10)8-11-6-4-3-5-7-11;1-2-8(9)7-11-5-3-10-4-6-11;1-2-8(9)7-10-5-3-4-6-10;1-7(8)6-9-4-2-3-5-9;1-4-9(5-2)6-7(3)8;1-5(6)4-7(2)3/h6-12H2,1-5H3;7H,3-6,8-10H2,1-2H3;1,3-4,7-8H,2,5-6,9-11H2;1-5H,6-10H2;1-3,6-7H,4-5,8-10H2;5-9H,3-4,10H2,1-2H3;4-11H2,1-3H3;4-9H2,1-3H3;4-8H2,1-3H3;6H,1-5,7-8H2;1,5,10H,2-4,6-8H2;4-8H2,1-3H3;3-7H,8H2,1-2H3;2-8H2,1H3;2-7H2,1H3;2-7H2,1H3;2-6H2,1H3;4-6H2,1-3H3;4H2,1-3H3/q19*+1
InChIKeyIQMBVKIUJULDIM-UHFFFAOYSA-N
MW3608.99 g/mol
LogP36.29
Rot. Bonds61

About dibutyl-(3,3-dimethyl-2-oxobutyl)sulfanium;dibutyl(2-oxobutyl)sulfanium;diethyl(2-oxopropyl)sulfanium;diethyl(phenacyl)sulfanium;3,3-dimethyl-1-(1,4-oxathian-4-ium-4-yl)butan-2-one;dimethyl(2-oxopropyl)sulfanium;dimethyl(phenacyl)sulfanium;3,3-dimethyl-1-(thian-1-ium-1-yl)butan-2-one;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;5,5-dimethyl-3-(thiolan-1-ium-1-ylmethyl)cyclohex-2-en-1-one;1-(1,4-oxathian-4-ium-4-yl)butan-2-one;2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone;1-phenyl-2-(thian-1-ium-1-yl)ethanone;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;1-(thian-1-ium-1-yl)butan-2-one;1-(thiolan-1-ium-1-yl)butan-2-one;2-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one;6-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one;1-(thiolan-1-ium-1-yl)propan-2-one

dibutyl-(3,3-dimethyl-2-oxobutyl)sulfanium;dibutyl(2-oxobutyl)sulfanium;diethyl(2-oxopropyl)sulfanium;diethyl(phenacyl)sulfanium;3,3-dimethyl-1-(1,4-oxathian-4-ium-4-yl)butan-2-one;dimethyl(2-oxopropyl)sulfanium;dimethyl(phenacyl)sulfanium;3,3-dimethyl-1-(thian-1-ium-1-yl)butan-2-one;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;5,5-dimethyl-3-(thiolan-1-ium-1-ylmethyl)cyclohex-2-en-1-one;1-(1,4-oxathian-4-ium-4-yl)butan-2-one;2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone;1-phenyl-2-(thian-1-ium-1-yl)ethanone;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;1-(thian-1-ium-1-yl)butan-2-one;1-(thiolan-1-ium-1-yl)butan-2-one;2-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one;6-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one;1-(thiolan-1-ium-1-yl)propan-2-one (PubChem CID 158776015) has the molecular formula C193H327O22S19+19 and a molecular weight of 3608.99 g/mol. Its IUPAC name is dibutyl-(3,3-dimethyl-2-oxobutyl)sulfanium;dibutyl(2-oxobutyl)sulfanium;diethyl(2-oxopropyl)sulfanium;diethyl(phenacyl)sulfanium;3,3-dimethyl-1-(1,4-oxathian-4-ium-4-yl)butan-2-one;dimethyl(2-oxopropyl)sulfanium;dimethyl(phenacyl)sulfanium;3,3-dimethyl-1-(thian-1-ium-1-yl)butan-2-one;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;5,5-dimethyl-3-(thiolan-1-ium-1-ylmethyl)cyclohex-2-en-1-one;1-(1,4-oxathian-4-ium-4-yl)butan-2-one;2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone;1-phenyl-2-(thian-1-ium-1-yl)ethanone;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;1-(thian-1-ium-1-yl)butan-2-one;1-(thiolan-1-ium-1-yl)butan-2-one;2-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one;6-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one;1-(thiolan-1-ium-1-yl)propan-2-one.

Molecular Properties

Compound Namedibutyl-(3,3-dimethyl-2-oxobutyl)sulfanium;dibutyl(2-oxobutyl)sulfanium;diethyl(2-oxopropyl)sulfanium;diethyl(phenacyl)sulfanium;3,3-dimethyl-1-(1,4-oxathian-4-ium-4-yl)butan-2-one;dimethyl(2-oxopropyl)sulfanium;dimethyl(phenacyl)sulfanium;3,3-dimethyl-1-(thian-1-ium-1-yl)butan-2-one;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;5,5-dimethyl-3-(thiolan-1-ium-1-ylmethyl)cyclohex-2-en-1-one;1-(1,4-oxathian-4-ium-4-yl)butan-2-one;2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone;1-phenyl-2-(thian-1-ium-1-yl)ethanone;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;1-(thian-1-ium-1-yl)butan-2-one;1-(thiolan-1-ium-1-yl)butan-2-one;2-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one;6-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one;1-(thiolan-1-ium-1-yl)propan-2-one
PubChem CID158776015
Molecular FormulaC193H327O22S19+19
Molecular Weight3608.99 g/mol
Exact Mass3604.91
IUPAC Namedibutyl-(3,3-dimethyl-2-oxobutyl)sulfanium;dibutyl(2-oxobutyl)sulfanium;diethyl(2-oxopropyl)sulfanium;diethyl(phenacyl)sulfanium;3,3-dimethyl-1-(1,4-oxathian-4-ium-4-yl)butan-2-one;dimethyl(2-oxopropyl)sulfanium;dimethyl(phenacyl)sulfanium;3,3-dimethyl-1-(thian-1-ium-1-yl)butan-2-one;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;5,5-dimethyl-3-(thiolan-1-ium-1-ylmethyl)cyclohex-2-en-1-one;1-(1,4-oxathian-4-ium-4-yl)butan-2-one;2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone;1-phenyl-2-(thian-1-ium-1-yl)ethanone;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;1-(thian-1-ium-1-yl)butan-2-one;1-(thiolan-1-ium-1-yl)butan-2-one;2-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one;6-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one;1-(thiolan-1-ium-1-yl)propan-2-one
SMILESCC(=O)C[S+](C)C.CC(=O)C[S+]1CCCC1.CC(C)(C)C(=O)C[S+]1CCCC1.CC(C)(C)C(=O)C[S+]1CCCCC1.CC(C)(C)C(=O)C[S+]1CCOCC1.CC1(C)CC(=O)C=C(C[S+]2CCCC2)C1.CCC(=O)C[S+]1CCCC1.CCC(=O)C[S+]1CCCCC1.CCC(=O)C[S+]1CCOCC1.CCCC[S+](CCCC)CC(=O)C(C)(C)C.CCCC[S+](CCCC)CC(=O)CC.CC[S+](CC)CC(=O)c1ccccc1.CC[S+](CC)CC(C)=O.C[S+](C)CC(=O)c1ccccc1.O=C(C[S+]1CCCC1)c1ccccc1.O=C(C[S+]1CCCCC1)c1ccccc1.O=C(C[S+]1CCOCC1)c1ccccc1.O=C1C=CCCC1[S+]1CCCC1.O=C1CCCC=C1[S+]1CCCC1
InChIInChI=1S/C14H29OS.C13H21OS.C13H17OS.C12H15O2S.C12H15OS.C12H17OS.C12H25OS.C11H21OS.C10H19O2S.2C10H15OS.C10H19OS.C10H13OS.C9H17OS.C8H15O2S.C8H15OS.C7H13OS.C7H15OS.C5H11OS/c1-6-8-10-16(11-9-7-2)12-13(15)14(3,4)5;1-13(2)8-11(7-12(14)9-13)10-15-5-3-4-6-15;14-13(12-7-3-1-4-8-12)11-15-9-5-2-6-10-15;13-12(11-4-2-1-3-5-11)10-15-8-6-14-7-9-15;13-12(10-14-8-4-5-9-14)11-6-2-1-3-7-11;1-3-14(4-2)10-12(13)11-8-6-5-7-9-11;1-4-7-9-14(10-8-5-2)11-12(13)6-3;1-11(2,3)10(12)9-13-7-5-4-6-8-13;1-10(2,3)9(11)8-13-6-4-12-5-7-13;2*11-9-5-1-2-6-10(9)12-7-3-4-8-12;1-10(2,3)9(11)8-12-6-4-5-7-12;1-12(2)8-10(11)9-6-4-3-5-7-9;1-2-9(10)8-11-6-4-3-5-7-11;1-2-8(9)7-11-5-3-10-4-6-11;1-2-8(9)7-10-5-3-4-6-10;1-7(8)6-9-4-2-3-5-9;1-4-9(5-2)6-7(3)8;1-5(6)4-7(2)3/h6-12H2,1-5H3;7H,3-6,8-10H2,1-2H3;1,3-4,7-8H,2,5-6,9-11H2;1-5H,6-10H2;1-3,6-7H,4-5,8-10H2;5-9H,3-4,10H2,1-2H3;4-11H2,1-3H3;4-9H2,1-3H3;4-8H2,1-3H3;6H,1-5,7-8H2;1,5,10H,2-4,6-8H2;4-8H2,1-3H3;3-7H,8H2,1-2H3;2-8H2,1H3;2-7H2,1H3;2-7H2,1H3;2-6H2,1H3;4-6H2,1-3H3;4H2,1-3H3/q19*+1
InChIKeyIQMBVKIUJULDIM-UHFFFAOYSA-N
XLogP36.29
TPSA352.02 Ų
H-Bond Donors
H-Bond Acceptors22
Rotatable Bonds61
Heavy Atoms234
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003608.99
LogP ≤ 536.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}

Analyze dibutyl-(3,3-dimethyl-2-oxobutyl)sulfanium;dibutyl(2-oxobutyl)sulfanium;diethyl(2-oxopropyl)sulfanium;diethyl(phenacyl)sulfanium;3,3-dimethyl-1-(1,4-oxathian-4-ium-4-yl)butan-2-one;dimethyl(2-oxopropyl)sulfanium;dimethyl(phenacyl)sulfanium;3,3-dimethyl-1-(thian-1-ium-1-yl)butan-2-one;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;5,5-dimethyl-3-(thiolan-1-ium-1-ylmethyl)cyclohex-2-en-1-one;1-(1,4-oxathian-4-ium-4-yl)butan-2-one;2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone;1-phenyl-2-(thian-1-ium-1-yl)ethanone;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;1-(thian-1-ium-1-yl)butan-2-one;1-(thiolan-1-ium-1-yl)butan-2-one;2-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one;6-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one;1-(thiolan-1-ium-1-yl)propan-2-one with MolForge

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Related Compounds

cyclohexyl-ethyl-(2-oxocyclohexyl)sulfanium;cyclohexyl-methyl-(2-oxocyclohexyl)sulfanium;cyclohexyl-methyl-(2-oxocyclopentyl)sulfanium;cyclopentyl-methyl-(2-oxocyclohexyl)sulfanium;dibutyl-(3,3-dimethyl-2-oxobutyl)sulfanium;dibutyl(2-oxobutyl)sulfanium;dibutyl(phenacyl)sulfanium;dicyclohexyl-(2-oxocyclohexyl)sulfanium;diethyl(2-oxopropyl)sulfanium;diethyl(phenacyl)sulfanium;3,3-dimethyl-1-(1,4-oxathian-4-ium-4-yl)butan-2-one;dimethyl-(2-oxocyclohexyl)sulfanium;dimethyl(2-oxopropyl)sulfanium;dimethyl(phenacyl)sulfanium;3,3-dimethyl-1-(thian-1-ium-1-yl)butan-2-one;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;methyl-(2-oxocyclohexyl)-phenylsulfanium;1-(1,4-oxathian-4-ium-4-yl)butan-2-one;2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone;1-phenyl-2-(thian-1-ium-1-yl)ethanone;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;1-(thian-1-ium-1-yl)butan-2-one;1-(thiolan-1-ium-1-yl)butan-2-one;1-(thiolan-1-ium-1-yl)propan-2-one
CID 158545836
1-(cyclohexen-1-yl)-2-(thiolan-1-ium-1-yl)ethanone;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;cyclohexyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;dibutyl-[2-(4-methylphenyl)-2-oxoethyl]sulfanium;3,3-dimethyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;5,5-dimethyl-3-(thiolan-1-ium-1-ylmethyl)cyclohex-2-en-1-one;methanesulfonate;phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;6-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one;4-(thiolan-1-ium-1-yl)phenol
CID 159862782
1-(cyclohexen-1-yl)-2-(thiolan-1-ium-1-yl)ethanone;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;cyclohexyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;dibutyl-[2-(4-methylphenyl)-2-oxoethyl]sulfanium;3,3-dimethyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one;5,5-dimethyl-3-(thiolan-1-ium-1-ylmethyl)cyclohex-2-en-1-one;2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;4-(thiolan-1-ium-1-yl)phenol;nonaacetate
CID 158254688
1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;dibutyl(phenacyl)sulfanium;bis(1-(3,4-dimethylphenyl)-2-(thiolan-1-ium-1-yl)ethanone);hexakis(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate);1-(5,6,7,8-tetrahydronaphthalen-2-yl)-2-(thiolan-1-ium-1-yl)ethanone;2-(thiolan-1-ium-1-yl)-3,4-dihydro-2H-naphthalen-1-one
CID 159278620
dibutyl(phenacyl)sulfanium bromide
CID 10545452
dihexyl(phenacyl)sulfanium
CID 23522392
(4-tert-butylphenyl)-bis(4-chlorophenyl)sulfanium;(4-cyclohexylphenyl)-diphenylsulfanium;[2-(4-cyclohexylphenyl)-2-oxoethyl]-diphenylsulfanium;dibutyl(phenacyl)sulfanium;heptakis(1-(1,1-difluoroethylsulfonyl)piperidine);methane;(4-methylphenyl)-diphenylsulfanium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;triphenylsulfanium
CID 157156265
butyl-phenacyl-phenylsulfanium;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate;bis(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate);phenacyl(diphenyl)sulfanium
CID 161337535
bis(dibutyl(phenacyl)sulfanium);didodecyl(phenacyl)sulfanium;bis(3,3-dimethyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one);bis(3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one);dioctyl(phenacyl)sulfanium;bis(2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one);tetrakis(1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone);tetrakis(pentafluoro-λ5-stibane);tetrakis((2,3,4,5,6-pentafluorophenyl)boranuide);phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;tris(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);tris(trifluoromethanesulfonate);tetrafluoride;heptahexafluorophosphate
CID 159640471
(4-aminophenyl)sulfonyl-octylsulfonylazanide;dibutyl(phenacyl)sulfanium;N-[4-[(dimethylamino)methyl]phenyl]sulfonylnonanimidate;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone
CID 159598069
(4-aminophenyl)sulfonyl-octylsulfonylazanide;dibutyl(phenacyl)sulfanium;bis(3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one);[1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonylpropyl]sulfonyl-(trifluoromethylsulfonyl)azanide;[4-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]sulfonyl-octylsulfonylazanide
CID 160526834
bis(2-hydroxyethyl)-phenacylsulfanium;dibutyl(phenacyl)sulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;pentakis(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate);1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonic acid;1-oxidoperoxysulfanyl-3,5-bis(trifluoromethyl)benzene;1-phenyl-2-(thian-1-ium-1-yl)ethanone;1-phenyl-2-(thiolan-1-ium-1-yl)hexan-1-one;1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;2-(thiolan-1-ium-1-yl)-3,4-dihydro-2H-naphthalen-1-one
CID 158412910

Frequently Asked Questions

What is the IUPAC name of dibutyl-(3,3-dimethyl-2-oxobutyl)sulfanium;dibutyl(2-oxobutyl)sulfanium;diethyl(2-oxopropyl)sulfanium;diethyl(phenacyl)sulfanium;3,3-dimethyl-1-(1,4-oxathian-4-ium-4-yl)butan-2-one;dimethyl(2-oxopropyl)sulfanium;dimethyl(phenacyl)sulfanium;3,3-dimethyl-1-(thian-1-ium-1-yl)butan-2-one;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;5,5-dimethyl-3-(thiolan-1-ium-1-ylmethyl)cyclohex-2-en-1-one;1-(1,4-oxathian-4-ium-4-yl)butan-2-one;2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone;1-phenyl-2-(thian-1-ium-1-yl)ethanone;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;1-(thian-1-ium-1-yl)butan-2-one;1-(thiolan-1-ium-1-yl)butan-2-one;2-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one;6-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one;1-(thiolan-1-ium-1-yl)propan-2-one?
The IUPAC name of dibutyl-(3,3-dimethyl-2-oxobutyl)sulfanium;dibutyl(2-oxobutyl)sulfanium;diethyl(2-oxopropyl)sulfanium;diethyl(phenacyl)sulfanium;3,3-dimethyl-1-(1,4-oxathian-4-ium-4-yl)butan-2-one;dimethyl(2-oxopropyl)sulfanium;dimethyl(phenacyl)sulfanium;3,3-dimethyl-1-(thian-1-ium-1-yl)butan-2-one;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;5,5-dimethyl-3-(thiolan-1-ium-1-ylmethyl)cyclohex-2-en-1-one;1-(1,4-oxathian-4-ium-4-yl)butan-2-one;2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone;1-phenyl-2-(thian-1-ium-1-yl)ethanone;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;1-(thian-1-ium-1-yl)butan-2-one;1-(thiolan-1-ium-1-yl)butan-2-one;2-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one;6-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one;1-(thiolan-1-ium-1-yl)propan-2-one (CID 158776015) is dibutyl-(3,3-dimethyl-2-oxobutyl)sulfanium;dibutyl(2-oxobutyl)sulfanium;diethyl(2-oxopropyl)sulfanium;diethyl(phenacyl)sulfanium;3,3-dimethyl-1-(1,4-oxathian-4-ium-4-yl)butan-2-one;dimethyl(2-oxopropyl)sulfanium;dimethyl(phenacyl)sulfanium;3,3-dimethyl-1-(thian-1-ium-1-yl)butan-2-one;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;5,5-dimethyl-3-(thiolan-1-ium-1-ylmethyl)cyclohex-2-en-1-one;1-(1,4-oxathian-4-ium-4-yl)butan-2-one;2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone;1-phenyl-2-(thian-1-ium-1-yl)ethanone;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;1-(thian-1-ium-1-yl)butan-2-one;1-(thiolan-1-ium-1-yl)butan-2-one;2-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one;6-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one;1-(thiolan-1-ium-1-yl)propan-2-one.
What is the SMILES notation for dibutyl-(3,3-dimethyl-2-oxobutyl)sulfanium;dibutyl(2-oxobutyl)sulfanium;diethyl(2-oxopropyl)sulfanium;diethyl(phenacyl)sulfanium;3,3-dimethyl-1-(1,4-oxathian-4-ium-4-yl)butan-2-one;dimethyl(2-oxopropyl)sulfanium;dimethyl(phenacyl)sulfanium;3,3-dimethyl-1-(thian-1-ium-1-yl)butan-2-one;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;5,5-dimethyl-3-(thiolan-1-ium-1-ylmethyl)cyclohex-2-en-1-one;1-(1,4-oxathian-4-ium-4-yl)butan-2-one;2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone;1-phenyl-2-(thian-1-ium-1-yl)ethanone;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;1-(thian-1-ium-1-yl)butan-2-one;1-(thiolan-1-ium-1-yl)butan-2-one;2-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one;6-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one;1-(thiolan-1-ium-1-yl)propan-2-one?
The canonical SMILES for dibutyl-(3,3-dimethyl-2-oxobutyl)sulfanium;dibutyl(2-oxobutyl)sulfanium;diethyl(2-oxopropyl)sulfanium;diethyl(phenacyl)sulfanium;3,3-dimethyl-1-(1,4-oxathian-4-ium-4-yl)butan-2-one;dimethyl(2-oxopropyl)sulfanium;dimethyl(phenacyl)sulfanium;3,3-dimethyl-1-(thian-1-ium-1-yl)butan-2-one;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;5,5-dimethyl-3-(thiolan-1-ium-1-ylmethyl)cyclohex-2-en-1-one;1-(1,4-oxathian-4-ium-4-yl)butan-2-one;2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone;1-phenyl-2-(thian-1-ium-1-yl)ethanone;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;1-(thian-1-ium-1-yl)butan-2-one;1-(thiolan-1-ium-1-yl)butan-2-one;2-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one;6-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one;1-(thiolan-1-ium-1-yl)propan-2-one is CC(=O)C[S+](C)C.CC(=O)C[S+]1CCCC1.CC(C)(C)C(=O)C[S+]1CCCC1.CC(C)(C)C(=O)C[S+]1CCCCC1.CC(C)(C)C(=O)C[S+]1CCOCC1.CC1(C)CC(=O)C=C(C[S+]2CCCC2)C1.CCC(=O)C[S+]1CCCC1.CCC(=O)C[S+]1CCCCC1.CCC(=O)C[S+]1CCOCC1.CCCC[S+](CCCC)CC(=O)C(C)(C)C.CCCC[S+](CCCC)CC(=O)CC.CC[S+](CC)CC(=O)c1ccccc1.CC[S+](CC)CC(C)=O.C[S+](C)CC(=O)c1ccccc1.O=C(C[S+]1CCCC1)c1ccccc1.O=C(C[S+]1CCCCC1)c1ccccc1.O=C(C[S+]1CCOCC1)c1ccccc1.O=C1C=CCCC1[S+]1CCCC1.O=C1CCCC=C1[S+]1CCCC1.
What is the InChIKey of dibutyl-(3,3-dimethyl-2-oxobutyl)sulfanium;dibutyl(2-oxobutyl)sulfanium;diethyl(2-oxopropyl)sulfanium;diethyl(phenacyl)sulfanium;3,3-dimethyl-1-(1,4-oxathian-4-ium-4-yl)butan-2-one;dimethyl(2-oxopropyl)sulfanium;dimethyl(phenacyl)sulfanium;3,3-dimethyl-1-(thian-1-ium-1-yl)butan-2-one;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;5,5-dimethyl-3-(thiolan-1-ium-1-ylmethyl)cyclohex-2-en-1-one;1-(1,4-oxathian-4-ium-4-yl)butan-2-one;2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone;1-phenyl-2-(thian-1-ium-1-yl)ethanone;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;1-(thian-1-ium-1-yl)butan-2-one;1-(thiolan-1-ium-1-yl)butan-2-one;2-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one;6-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one;1-(thiolan-1-ium-1-yl)propan-2-one?
The InChIKey is IQMBVKIUJULDIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29OS.C13H21OS.C13H17OS.C12H15O2S.C12H15OS.C12H17OS.C12H25OS.C11H21OS.C10H19O2S.2C10H15OS.C10H19OS.C10H13OS.C9H17OS.C8H15O2S.C8H15OS.C7H13OS.C7H15OS.C5H11OS/c1-6-8-10-16(11-9-7-2)12-13(15)14(3,4)5;1-13(2)8-11(7-12(14)9-13)10-15-5-3-4-6-15;14-13(12-7-3-1-4-8-12)11-15-9-5-2-6-10-15;13-12(11-4-2-1-3-5-11)10-15-8-6-14-7-9-15;13-12(10-14-8-4-5-9-14)11-6-2-1-3-7-11;1-3-14(4-2)10-12(13)11-8-6-5-7-9-11;1-4-7-9-14(10-8-5-2)11-12(13)6-3;1-11(2,3)10(12)9-13-7-5-4-6-8-13;1-10(2,3)9(11)8-13-6-4-12-5-7-13;2*11-9-5-1-2-6-10(9)12-7-3-4-8-12;1-10(2,3)9(11)8-12-6-4-5-7-12;1-12(2)8-10(11)9-6-4-3-5-7-9;1-2-9(10)8-11-6-4-3-5-7-11;1-2-8(9)7-11-5-3-10-4-6-11;1-2-8(9)7-10-5-3-4-6-10;1-7(8)6-9-4-2-3-5-9;1-4-9(5-2)6-7(3)8;1-5(6)4-7(2)3/h6-12H2,1-5H3;7H,3-6,8-10H2,1-2H3;1,3-4,7-8H,2,5-6,9-11H2;1-5H,6-10H2;1-3,6-7H,4-5,8-10H2;5-9H,3-4,10H2,1-2H3;4-11H2,1-3H3;4-9H2,1-3H3;4-8H2,1-3H3;6H,1-5,7-8H2;1,5,10H,2-4,6-8H2;4-8H2,1-3H3;3-7H,8H2,1-2H3;2-8H2,1H3;2-7H2,1H3;2-7H2,1H3;2-6H2,1H3;4-6H2,1-3H3;4H2,1-3H3/q19*+1.
What are the key properties of dibutyl-(3,3-dimethyl-2-oxobutyl)sulfanium;dibutyl(2-oxobutyl)sulfanium;diethyl(2-oxopropyl)sulfanium;diethyl(phenacyl)sulfanium;3,3-dimethyl-1-(1,4-oxathian-4-ium-4-yl)butan-2-one;dimethyl(2-oxopropyl)sulfanium;dimethyl(phenacyl)sulfanium;3,3-dimethyl-1-(thian-1-ium-1-yl)butan-2-one;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;5,5-dimethyl-3-(thiolan-1-ium-1-ylmethyl)cyclohex-2-en-1-one;1-(1,4-oxathian-4-ium-4-yl)butan-2-one;2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone;1-phenyl-2-(thian-1-ium-1-yl)ethanone;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;1-(thian-1-ium-1-yl)butan-2-one;1-(thiolan-1-ium-1-yl)butan-2-one;2-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one;6-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one;1-(thiolan-1-ium-1-yl)propan-2-one?
dibutyl-(3,3-dimethyl-2-oxobutyl)sulfanium;dibutyl(2-oxobutyl)sulfanium;diethyl(2-oxopropyl)sulfanium;diethyl(phenacyl)sulfanium;3,3-dimethyl-1-(1,4-oxathian-4-ium-4-yl)butan-2-one;dimethyl(2-oxopropyl)sulfanium;dimethyl(phenacyl)sulfanium;3,3-dimethyl-1-(thian-1-ium-1-yl)butan-2-one;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;5,5-dimethyl-3-(thiolan-1-ium-1-ylmethyl)cyclohex-2-en-1-one;1-(1,4-oxathian-4-ium-4-yl)butan-2-one;2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone;1-phenyl-2-(thian-1-ium-1-yl)ethanone;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;1-(thian-1-ium-1-yl)butan-2-one;1-(thiolan-1-ium-1-yl)butan-2-one;2-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one;6-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one;1-(thiolan-1-ium-1-yl)propan-2-one has a molecular weight of 3608.99 g/mol, XLogP of 36.29, 61 rotatable bonds, 0 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for dibutyl-(3,3-dimethyl-2-oxobutyl)sulfanium;dibutyl(2-oxobutyl)sulfanium;diethyl(2-oxopropyl)sulfanium;diethyl(phenacyl)sulfanium;3,3-dimethyl-1-(1,4-oxathian-4-ium-4-yl)butan-2-one;dimethyl(2-oxopropyl)sulfanium;dimethyl(phenacyl)sulfanium;3,3-dimethyl-1-(thian-1-ium-1-yl)butan-2-one;3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one;5,5-dimethyl-3-(thiolan-1-ium-1-ylmethyl)cyclohex-2-en-1-one;1-(1,4-oxathian-4-ium-4-yl)butan-2-one;2-(1,4-oxathian-4-ium-4-yl)-1-phenylethanone;1-phenyl-2-(thian-1-ium-1-yl)ethanone;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;1-(thian-1-ium-1-yl)butan-2-one;1-(thiolan-1-ium-1-yl)butan-2-one;2-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one;6-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one;1-(thiolan-1-ium-1-yl)propan-2-one is sourced from PubChem (CID 158776015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).