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

C166H268O44S22 — CID 159862782

IUPAC1-(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
SMILESCC(C)(C(=O)c1ccc(C2CCCCC2)cc1)[S+]1CCCC1.CC(C)(C)C(=O)C[S+]1CCCC1.CC1(C)CC(=O)C=C(C[S+]2CCCC2)C1.CCCC[S+](CCCC)CC(=O)c1ccc(C)cc1.CS(=O)(=O)[O-].CS(=O)(=O)[O-].CS(=O)(=O)[O-].CS(=O)(=O)[O-].CS(=O)(=O)[O-].CS(=O)(=O)[O-].CS(=O)(=O)[O-].CS(=O)(=O)[O-].CS(=O)(=O)[O-].CS(=O)(=O)[O-].CS(=O)(=O)[O-].Cc1ccc(C(=O)C([S+]2CCCC2)C(C)(C)C)cc1.O=C(C1CCCCC1)C1([S+]2CCCC2)CCCCC1.O=C(C[S+]1CCCC1)C1=CCCCC1.O=C(C[S+]1CCCC1)c1ccccc1.O=C(c1ccccc1)C1([S+]2CCCC2)CCCCC1.O=C1C=CCCC1[S+]1CCCC1.Oc1ccc([S+]2CCCC2)cc1
InChIInChI=1S/C20H29OS.C17H29OS.C17H23OS.C17H25OS.C17H27OS.C13H21OS.C12H19OS.C12H15OS.C10H12OS.C10H15OS.C10H19OS.11CH4O3S/c1-20(2,22-14-6-7-15-22)19(21)18-12-10-17(11-13-18)16-8-4-3-5-9-16;2*18-16(15-9-3-1-4-10-15)17(11-5-2-6-12-17)19-13-7-8-14-19;1-13-7-9-14(10-8-13)15(18)16(17(2,3)4)19-11-5-6-12-19;1-4-6-12-19(13-7-5-2)14-17(18)16-10-8-15(3)9-11-16;1-13(2)8-11(7-12(14)9-13)10-15-5-3-4-6-15;2*13-12(10-14-8-4-5-9-14)11-6-2-1-3-7-11;11-9-3-5-10(6-4-9)12-7-1-2-8-12;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;11*1-5(2,3)4/h10-13,16H,3-9,14-15H2,1-2H3;15H,1-14H2;1,3-4,9-10H,2,5-8,11-14H2;7-10,16H,5-6,11-12H2,1-4H3;8-11H,4-7,12-14H2,1-3H3;7H,3-6,8-10H2,1-2H3;6H,1-5,7-10H2;1-3,6-7H,4-5,8-10H2;3-6H,1-2,7-8H2;1,5,10H,2-4,6-8H2;4-8H2,1-3H3;11*1H3,(H,2,3,4)/q8*+1;;2*+1;;;;;;;;;;;/p-10
InChIKeyJWQMTOJTKVWSNJ-UHFFFAOYSA-D
MW3673.40 g/mol
LogP25.85
Rot. Bonds34

About 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

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 (PubChem CID 159862782) has the molecular formula C166H268O44S22 and a molecular weight of 3673.40 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name1-(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
PubChem CID159862782
Molecular FormulaC166H268O44S22
Molecular Weight3673.40 g/mol
Exact Mass3669.26
IUPAC Name1-(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
SMILESCC(C)(C(=O)c1ccc(C2CCCCC2)cc1)[S+]1CCCC1.CC(C)(C)C(=O)C[S+]1CCCC1.CC1(C)CC(=O)C=C(C[S+]2CCCC2)C1.CCCC[S+](CCCC)CC(=O)c1ccc(C)cc1.CS(=O)(=O)[O-].CS(=O)(=O)[O-].CS(=O)(=O)[O-].CS(=O)(=O)[O-].CS(=O)(=O)[O-].CS(=O)(=O)[O-].CS(=O)(=O)[O-].CS(=O)(=O)[O-].CS(=O)(=O)[O-].CS(=O)(=O)[O-].CS(=O)(=O)[O-].Cc1ccc(C(=O)C([S+]2CCCC2)C(C)(C)C)cc1.O=C(C1CCCCC1)C1([S+]2CCCC2)CCCCC1.O=C(C[S+]1CCCC1)C1=CCCCC1.O=C(C[S+]1CCCC1)c1ccccc1.O=C(c1ccccc1)C1([S+]2CCCC2)CCCCC1.O=C1C=CCCC1[S+]1CCCC1.Oc1ccc([S+]2CCCC2)cc1
InChIInChI=1S/C20H29OS.C17H29OS.C17H23OS.C17H25OS.C17H27OS.C13H21OS.C12H19OS.C12H15OS.C10H12OS.C10H15OS.C10H19OS.11CH4O3S/c1-20(2,22-14-6-7-15-22)19(21)18-12-10-17(11-13-18)16-8-4-3-5-9-16;2*18-16(15-9-3-1-4-10-15)17(11-5-2-6-12-17)19-13-7-8-14-19;1-13-7-9-14(10-8-13)15(18)16(17(2,3)4)19-11-5-6-12-19;1-4-6-12-19(13-7-5-2)14-17(18)16-10-8-15(3)9-11-16;1-13(2)8-11(7-12(14)9-13)10-15-5-3-4-6-15;2*13-12(10-14-8-4-5-9-14)11-6-2-1-3-7-11;11-9-3-5-10(6-4-9)12-7-1-2-8-12;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;11*1-5(2,3)4/h10-13,16H,3-9,14-15H2,1-2H3;15H,1-14H2;1,3-4,9-10H,2,5-8,11-14H2;7-10,16H,5-6,11-12H2,1-4H3;8-11H,4-7,12-14H2,1-3H3;7H,3-6,8-10H2,1-2H3;6H,1-5,7-10H2;1-3,6-7H,4-5,8-10H2;3-6H,1-2,7-8H2;1,5,10H,2-4,6-8H2;4-8H2,1-3H3;11*1H3,(H,2,3,4)/q8*+1;;2*+1;;;;;;;;;;;/p-10
InChIKeyJWQMTOJTKVWSNJ-UHFFFAOYSA-D
XLogP25.85
TPSA820.13 Ų
H-Bond Donors1
H-Bond Acceptors44
Rotatable Bonds34
Heavy Atoms232
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003673.40
LogP ≤ 525.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1044

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Launch Full Analysis

Related Compounds

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-(cyclohexen-1-yl)-2-(thiolan-1-ium-1-yl)ethanone;dibutyl(phenacyl)sulfanium;didodecyl(phenacyl)sulfanium;3,3-dimethyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one;dioctyl(phenacyl)sulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;1-naphthalen-2-yl-2-(thiolan-1-ium-1-yl)ethanone;phenyl-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;4-(thiolan-1-ium-1-yl)naphthalen-1-ol
CID 158279523
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
1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;dibutyl-[3,3-dimethyl-1-(4-methylphenyl)-1-oxobutan-2-yl]sulfanium;dibutyl(phenacyl)sulfanium;(4-hydroxynaphthalen-1-yl)-dimethylsulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;octakis(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate);6-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one;4-(thiolan-1-ium-1-yl)naphthalen-1-ol;4-(thiolan-1-ium-1-yl)phenol
CID 159243273
bis(dibutyl(phenacyl)sulfanium);didodecyl(phenacyl)sulfanium;bis(3,3-dimethyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one);dioctyl(phenacyl)sulfanium;(4-methylphenyl)-[1-(thiolan-1-ium-1-yl)cyclohexyl]methanone;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);tris((2,3,4,5,6-pentafluorophenyl)boranuide);tris(1-phenyl-2-(thiolan-1-ium-1-yl)ethanone);tris(trifluoromethanesulfonate);tetrafluoride;hexahexafluorophosphate
CID 158360002
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
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
(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
[1-(4-cyclohexylphenyl)-2-methyl-1-oxopropan-2-yl]-methyl-phenylsulfanium;1-(4-cyclohexylphenyl)-2-methyl-2-(thiolan-1-ium-1-yl)propan-1-one;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;dibutyl-(3,3-dimethyl-1-oxo-1-phenylbutan-2-yl)sulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;1-(4-phenylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;[4-[2-(thiolan-1-ium-1-yl)acetyl]phenyl] adamantane-1-carboxylate
CID 159080469
tris(4-amino-N-octylsulfonylbenzenesulfonamide);8-amino-N-octylsulfonylnaphthalene-1-sulfonamide;tert-butyl N-[4-(octylsulfonylsulfamoyl)phenyl]carbamate;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;bis(dibutyl(phenacyl)sulfanium);bis(3,3-dimethyl-1-(thiolan-1-ium-1-yl)butan-2-one);bis(1,1,2,2,3,3-hexafluoro-3-(4-methylpiperazin-1-yl)sulfonyl-N-(trifluoromethylsulfonyl)propane-1-sulfonamide);1-(4-hydroxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone;2-methyl-1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;2-(4-methylphenyl)-3H-pyrrole;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone
CID 158427265
bis(4-hydroxyphenyl)-[4-(2-methylbutan-2-yl)phenyl]sulfanium;(4-cyclohexylphenyl)-diphenylsulfanium;diphenyl-(2,4,6-trimethylphenyl)sulfanium;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;bis(2,3,4,5,6-pentafluorobenzenesulfonate);2,3,4,5,6-pentafluorobenzenesulfonic acid;1,2,3,4,5-pentafluoro-6-methylbenzene;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;2,3,5,6-tetrafluoro-4-methylbenzenesulfonate
CID 157493759
1-(4-cyclohexylphenyl)-2-methyl-2-(1,4-oxathian-4-ium-4-yl)propan-1-one;1,2-diphenyl-2-(thiolan-1-ium-1-yl)ethanone;ethyl-(2-hydroxyethyl)-phenacylsulfanium;1-(4-hydroxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone;(3-methoxy-3-oxopropyl)-methyl-phenacylsulfanium;2-methyl-2-(4-methylsulfonylthiomorpholin-1-ium-1-yl)-1-phenylpropan-1-one;2-methyl-1-(4-phenylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;1-[4-(2-methylpropyl)phenyl]-2-(1,4-oxathian-4-ium-4-yl)propan-1-one
CID 159654233

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(C)(C(=O)c1ccc(C2CCCCC2)cc1)[S+]1CCCC1.CC(C)(C)C(=O)C[S+]1CCCC1.CC1(C)CC(=O)C=C(C[S+]2CCCC2)C1.CCCC[S+](CCCC)CC(=O)c1ccc(C)cc1.CS(=O)(=O)[O-].CS(=O)(=O)[O-].CS(=O)(=O)[O-].CS(=O)(=O)[O-].CS(=O)(=O)[O-].CS(=O)(=O)[O-].CS(=O)(=O)[O-].CS(=O)(=O)[O-].CS(=O)(=O)[O-].CS(=O)(=O)[O-].CS(=O)(=O)[O-].Cc1ccc(C(=O)C([S+]2CCCC2)C(C)(C)C)cc1.O=C(C1CCCCC1)C1([S+]2CCCC2)CCCCC1.O=C(C[S+]1CCCC1)C1=CCCCC1.O=C(C[S+]1CCCC1)c1ccccc1.O=C(c1ccccc1)C1([S+]2CCCC2)CCCCC1.O=C1C=CCCC1[S+]1CCCC1.Oc1ccc([S+]2CCCC2)cc1.
What is the InChIKey of 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?
The InChIKey is JWQMTOJTKVWSNJ-UHFFFAOYSA-D. The full InChI is InChI=1S/C20H29OS.C17H29OS.C17H23OS.C17H25OS.C17H27OS.C13H21OS.C12H19OS.C12H15OS.C10H12OS.C10H15OS.C10H19OS.11CH4O3S/c1-20(2,22-14-6-7-15-22)19(21)18-12-10-17(11-13-18)16-8-4-3-5-9-16;2*18-16(15-9-3-1-4-10-15)17(11-5-2-6-12-17)19-13-7-8-14-19;1-13-7-9-14(10-8-13)15(18)16(17(2,3)4)19-11-5-6-12-19;1-4-6-12-19(13-7-5-2)14-17(18)16-10-8-15(3)9-11-16;1-13(2)8-11(7-12(14)9-13)10-15-5-3-4-6-15;2*13-12(10-14-8-4-5-9-14)11-6-2-1-3-7-11;11-9-3-5-10(6-4-9)12-7-1-2-8-12;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;11*1-5(2,3)4/h10-13,16H,3-9,14-15H2,1-2H3;15H,1-14H2;1,3-4,9-10H,2,5-8,11-14H2;7-10,16H,5-6,11-12H2,1-4H3;8-11H,4-7,12-14H2,1-3H3;7H,3-6,8-10H2,1-2H3;6H,1-5,7-10H2;1-3,6-7H,4-5,8-10H2;3-6H,1-2,7-8H2;1,5,10H,2-4,6-8H2;4-8H2,1-3H3;11*1H3,(H,2,3,4)/q8*+1;;2*+1;;;;;;;;;;;/p-10.
What are the key properties of 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?
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 has a molecular weight of 3673.40 g/mol, XLogP of 25.85, 34 rotatable bonds, 1 hydrogen bond donors, and 44 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 159862782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).