1-(cyclohexen-1-yl)-2-(thiolan-1-ium-1-yl)ethanone;dibutyl-(3,3-dimethyl-2-oxobutyl)sulfanium;dibutyl(2-oxobutyl)sulfanium;dibutyl(phenacyl)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;6-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one;1-(thiolan-1-ium-1-yl)propan-2-one

C211H356O23S20+20 — CID 157125329

IUPAC1-(cyclohexen-1-yl)-2-(thiolan-1-ium-1-yl)ethanone;dibutyl-(3,3-dimethyl-2-oxobutyl)sulfanium;dibutyl(2-oxobutyl)sulfanium;dibutyl(phenacyl)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;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.CCCC[S+](CCCC)CC(=O)c1ccccc1.CC[S+](CC)CC(=O)c1ccccc1.CC[S+](CC)CC(C)=O.C[S+](C)CC(=O)c1ccccc1.O=C(C[S+]1CCCC1)C1=CCCCC1.O=C(C[S+]1CCCC1)c1ccccc1.O=C(C[S+]1CCCCC1)c1ccccc1.O=C(C[S+]1CCOCC1)c1ccccc1.O=C1C=CCCC1[S+]1CCCC1
InChIInChI=1S/C16H25OS.C14H29OS.C13H21OS.C13H17OS.C12H15O2S.C12H19OS.C12H15OS.C12H17OS.C12H25OS.C11H21OS.C10H19O2S.C10H15OS.C10H19OS.C10H13OS.C9H17OS.C8H15O2S.C8H15OS.C7H13OS.C7H15OS.C5H11OS/c1-3-5-12-18(13-6-4-2)14-16(17)15-10-8-7-9-11-15;1-6-8-10-16(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;2*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;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/h7-11H,3-6,12-14H2,1-2H3;6-12H2,1-5H3;7H,3-6,8-10H2,1-2H3;1,3-4,7-8H,2,5-6,9-11H2;1-5H,6-10H2;6H,1-5,7-10H2;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;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/q20*+1
InChIKeyAILDCAYNPUHDAL-UHFFFAOYSA-N
MW3902.49 g/mol
LogP40.81
Rot. Bonds72

About 1-(cyclohexen-1-yl)-2-(thiolan-1-ium-1-yl)ethanone;dibutyl-(3,3-dimethyl-2-oxobutyl)sulfanium;dibutyl(2-oxobutyl)sulfanium;dibutyl(phenacyl)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;6-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one;1-(thiolan-1-ium-1-yl)propan-2-one

1-(cyclohexen-1-yl)-2-(thiolan-1-ium-1-yl)ethanone;dibutyl-(3,3-dimethyl-2-oxobutyl)sulfanium;dibutyl(2-oxobutyl)sulfanium;dibutyl(phenacyl)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;6-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one;1-(thiolan-1-ium-1-yl)propan-2-one (PubChem CID 157125329) has the molecular formula C211H356O23S20+20 and a molecular weight of 3902.49 g/mol. Its IUPAC name is 1-(cyclohexen-1-yl)-2-(thiolan-1-ium-1-yl)ethanone;dibutyl-(3,3-dimethyl-2-oxobutyl)sulfanium;dibutyl(2-oxobutyl)sulfanium;dibutyl(phenacyl)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;6-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one;1-(thiolan-1-ium-1-yl)propan-2-one.

Molecular Properties

Compound Name1-(cyclohexen-1-yl)-2-(thiolan-1-ium-1-yl)ethanone;dibutyl-(3,3-dimethyl-2-oxobutyl)sulfanium;dibutyl(2-oxobutyl)sulfanium;dibutyl(phenacyl)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;6-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one;1-(thiolan-1-ium-1-yl)propan-2-one
PubChem CID157125329
Molecular FormulaC211H356O23S20+20
Molecular Weight3902.49 g/mol
Exact Mass3898.10
IUPAC Name1-(cyclohexen-1-yl)-2-(thiolan-1-ium-1-yl)ethanone;dibutyl-(3,3-dimethyl-2-oxobutyl)sulfanium;dibutyl(2-oxobutyl)sulfanium;dibutyl(phenacyl)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;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.CCCC[S+](CCCC)CC(=O)c1ccccc1.CC[S+](CC)CC(=O)c1ccccc1.CC[S+](CC)CC(C)=O.C[S+](C)CC(=O)c1ccccc1.O=C(C[S+]1CCCC1)C1=CCCCC1.O=C(C[S+]1CCCC1)c1ccccc1.O=C(C[S+]1CCCCC1)c1ccccc1.O=C(C[S+]1CCOCC1)c1ccccc1.O=C1C=CCCC1[S+]1CCCC1
InChIInChI=1S/C16H25OS.C14H29OS.C13H21OS.C13H17OS.C12H15O2S.C12H19OS.C12H15OS.C12H17OS.C12H25OS.C11H21OS.C10H19O2S.C10H15OS.C10H19OS.C10H13OS.C9H17OS.C8H15O2S.C8H15OS.C7H13OS.C7H15OS.C5H11OS/c1-3-5-12-18(13-6-4-2)14-16(17)15-10-8-7-9-11-15;1-6-8-10-16(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;2*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;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/h7-11H,3-6,12-14H2,1-2H3;6-12H2,1-5H3;7H,3-6,8-10H2,1-2H3;1,3-4,7-8H,2,5-6,9-11H2;1-5H,6-10H2;6H,1-5,7-10H2;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;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/q20*+1
InChIKeyAILDCAYNPUHDAL-UHFFFAOYSA-N
XLogP40.81
TPSA369.09 Ų
H-Bond Donors
H-Bond Acceptors23
Rotatable Bonds72
Heavy Atoms254
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003902.49
LogP ≤ 540.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1023

Computed Properties (RDKit)

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

Analyze 1-(cyclohexen-1-yl)-2-(thiolan-1-ium-1-yl)ethanone;dibutyl-(3,3-dimethyl-2-oxobutyl)sulfanium;dibutyl(2-oxobutyl)sulfanium;dibutyl(phenacyl)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;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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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexen-1-yl)-2-(thiolan-1-ium-1-yl)ethanone;dibutyl-(3,3-dimethyl-2-oxobutyl)sulfanium;dibutyl(2-oxobutyl)sulfanium;dibutyl(phenacyl)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;6-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one;1-(thiolan-1-ium-1-yl)propan-2-one?
The IUPAC name of 1-(cyclohexen-1-yl)-2-(thiolan-1-ium-1-yl)ethanone;dibutyl-(3,3-dimethyl-2-oxobutyl)sulfanium;dibutyl(2-oxobutyl)sulfanium;dibutyl(phenacyl)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;6-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one;1-(thiolan-1-ium-1-yl)propan-2-one (CID 157125329) is 1-(cyclohexen-1-yl)-2-(thiolan-1-ium-1-yl)ethanone;dibutyl-(3,3-dimethyl-2-oxobutyl)sulfanium;dibutyl(2-oxobutyl)sulfanium;dibutyl(phenacyl)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;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 1-(cyclohexen-1-yl)-2-(thiolan-1-ium-1-yl)ethanone;dibutyl-(3,3-dimethyl-2-oxobutyl)sulfanium;dibutyl(2-oxobutyl)sulfanium;dibutyl(phenacyl)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;6-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one;1-(thiolan-1-ium-1-yl)propan-2-one?
The canonical SMILES for 1-(cyclohexen-1-yl)-2-(thiolan-1-ium-1-yl)ethanone;dibutyl-(3,3-dimethyl-2-oxobutyl)sulfanium;dibutyl(2-oxobutyl)sulfanium;dibutyl(phenacyl)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;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.CCCC[S+](CCCC)CC(=O)c1ccccc1.CC[S+](CC)CC(=O)c1ccccc1.CC[S+](CC)CC(C)=O.C[S+](C)CC(=O)c1ccccc1.O=C(C[S+]1CCCC1)C1=CCCCC1.O=C(C[S+]1CCCC1)c1ccccc1.O=C(C[S+]1CCCCC1)c1ccccc1.O=C(C[S+]1CCOCC1)c1ccccc1.O=C1C=CCCC1[S+]1CCCC1.
What is the InChIKey of 1-(cyclohexen-1-yl)-2-(thiolan-1-ium-1-yl)ethanone;dibutyl-(3,3-dimethyl-2-oxobutyl)sulfanium;dibutyl(2-oxobutyl)sulfanium;dibutyl(phenacyl)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;6-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one;1-(thiolan-1-ium-1-yl)propan-2-one?
The InChIKey is AILDCAYNPUHDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25OS.C14H29OS.C13H21OS.C13H17OS.C12H15O2S.C12H19OS.C12H15OS.C12H17OS.C12H25OS.C11H21OS.C10H19O2S.C10H15OS.C10H19OS.C10H13OS.C9H17OS.C8H15O2S.C8H15OS.C7H13OS.C7H15OS.C5H11OS/c1-3-5-12-18(13-6-4-2)14-16(17)15-10-8-7-9-11-15;1-6-8-10-16(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;2*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;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/h7-11H,3-6,12-14H2,1-2H3;6-12H2,1-5H3;7H,3-6,8-10H2,1-2H3;1,3-4,7-8H,2,5-6,9-11H2;1-5H,6-10H2;6H,1-5,7-10H2;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;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/q20*+1.
What are the key properties of 1-(cyclohexen-1-yl)-2-(thiolan-1-ium-1-yl)ethanone;dibutyl-(3,3-dimethyl-2-oxobutyl)sulfanium;dibutyl(2-oxobutyl)sulfanium;dibutyl(phenacyl)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;6-(thiolan-1-ium-1-yl)cyclohex-2-en-1-one;1-(thiolan-1-ium-1-yl)propan-2-one?
1-(cyclohexen-1-yl)-2-(thiolan-1-ium-1-yl)ethanone;dibutyl-(3,3-dimethyl-2-oxobutyl)sulfanium;dibutyl(2-oxobutyl)sulfanium;dibutyl(phenacyl)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;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 3902.49 g/mol, XLogP of 40.81, 72 rotatable bonds, 0 hydrogen bond donors, and 23 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexen-1-yl)-2-(thiolan-1-ium-1-yl)ethanone;dibutyl-(3,3-dimethyl-2-oxobutyl)sulfanium;dibutyl(2-oxobutyl)sulfanium;dibutyl(phenacyl)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;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 157125329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).