cyclohexyl-(1-cyclopentyl-2-oxo-2-phenylethyl)-propan-2-ylsulfanium;1-(4-cyclohexyloxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone;dibutyl-[3,3-dimethyl-1-(4-methylphenyl)-1-oxobutan-2-yl]sulfanium;didodecyl(phenacyl)sulfanium;1-(3,5-dimethylphenyl)-2-(thian-1-ium-1-yl)propan-1-one;dioctyl(phenacyl)sulfanium;1,2-diphenyl-2-(thiolan-1-ium-1-yl)ethanone;1-(4-ethoxy-2,6-dimethylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;ethyl-phenacyl-propan-2-ylsulfanium;2-methyl-1-(4-phenylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one

C227H334O14S13+12 — CID 158379197

About cyclohexyl-(1-cyclopentyl-2-oxo-2-phenylethyl)-propan-2-ylsulfanium;1-(4-cyclohexyloxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone;dibutyl-[3,3-dimethyl-1-(4-methylphenyl)-1-oxobutan-2-yl]sulfanium;didodecyl(phenacyl)sulfanium;1-(3,5-dimethylphenyl)-2-(thian-1-ium-1-yl)propan-1-one;dioctyl(phenacyl)sulfanium;1,2-diphenyl-2-(thiolan-1-ium-1-yl)ethanone;1-(4-ethoxy-2,6-dimethylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;ethyl-phenacyl-propan-2-ylsulfanium;2-methyl-1-(4-phenylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one

cyclohexyl-(1-cyclopentyl-2-oxo-2-phenylethyl)-propan-2-ylsulfanium;1-(4-cyclohexyloxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone;dibutyl-[3,3-dimethyl-1-(4-methylphenyl)-1-oxobutan-2-yl]sulfanium;didodecyl(phenacyl)sulfanium;1-(3,5-dimethylphenyl)-2-(thian-1-ium-1-yl)propan-1-one;dioctyl(phenacyl)sulfanium;1,2-diphenyl-2-(thiolan-1-ium-1-yl)ethanone;1-(4-ethoxy-2,6-dimethylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;ethyl-phenacyl-propan-2-ylsulfanium;2-methyl-1-(4-phenylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one (PubChem CID 158379197) has the molecular formula C227H334O14S13+12 and a molecular weight of 3704.03 g/mol. Its IUPAC name is cyclohexyl-(1-cyclopentyl-2-oxo-2-phenylethyl)-propan-2-ylsulfanium;1-(4-cyclohexyloxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone;dibutyl-[3,3-dimethyl-1-(4-methylphenyl)-1-oxobutan-2-yl]sulfanium;didodecyl(phenacyl)sulfanium;1-(3,5-dimethylphenyl)-2-(thian-1-ium-1-yl)propan-1-one;dioctyl(phenacyl)sulfanium;1,2-diphenyl-2-(thiolan-1-ium-1-yl)ethanone;1-(4-ethoxy-2,6-dimethylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;ethyl-phenacyl-propan-2-ylsulfanium;2-methyl-1-(4-phenylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one.

Molecular Properties

• Compound Name: cyclohexyl-(1-cyclopentyl-2-oxo-2-phenylethyl)-propan-2-ylsulfanium;1-(4-cyclohexyloxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone;dibutyl-[3,3-dimethyl-1-(4-methylphenyl)-1-oxobutan-2-yl]sulfanium;didodecyl(phenacyl)sulfanium;1-(3,5-dimethylphenyl)-2-(thian-1-ium-1-yl)propan-1-one;dioctyl(phenacyl)sulfanium;1,2-diphenyl-2-(thiolan-1-ium-1-yl)ethanone;1-(4-ethoxy-2,6-dimethylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;ethyl-phenacyl-propan-2-ylsulfanium;2-methyl-1-(4-phenylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one
• PubChem CID: 158379197
• Molecular Formula: C227H334O14S13+12
• Molecular Weight: 3704.03 g/mol
• Exact Mass: 3700.17
• IUPAC Name: cyclohexyl-(1-cyclopentyl-2-oxo-2-phenylethyl)-propan-2-ylsulfanium;1-(4-cyclohexyloxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone;dibutyl-[3,3-dimethyl-1-(4-methylphenyl)-1-oxobutan-2-yl]sulfanium;didodecyl(phenacyl)sulfanium;1-(3,5-dimethylphenyl)-2-(thian-1-ium-1-yl)propan-1-one;dioctyl(phenacyl)sulfanium;1,2-diphenyl-2-(thiolan-1-ium-1-yl)ethanone;1-(4-ethoxy-2,6-dimethylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;ethyl-phenacyl-propan-2-ylsulfanium;2-methyl-1-(4-phenylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one
• SMILES: CC(C)(C(=O)c1ccc(Sc2ccccc2)cc1)[S+]1CCCC1.CC(C)(C(=O)c1ccccc1)[S+]1CCCC1.CC(C)[S+](C1CCCCC1)C(C(=O)c1ccccc1)C1CCCC1.CCCCCCCCCCCC[S+](CCCCCCCCCCCC)CC(=O)c1ccccc1.CCCCCCCC[S+](CCCCCCCC)CC(=O)c1ccccc1.CCCC[S+](CCCC)C(C(=O)c1ccc(C)cc1)C(C)(C)C.CCOc1cc(C)c(C(=O)C[S+]2CCCC2)c(C)c1.CC[S+](CC(=O)c1ccccc1)C(C)C.Cc1cc(C)cc(C(=O)C(C)[S+]2CCCCC2)c1.Cc1ccc(C(=O)C[S+]2CCCC2)cc1.O=C(C[S+]1CCCC1)c1ccc(OC2CCCCC2)cc1.O=C(c1ccccc1)C(c1ccccc1)[S+]1CCCC1
• InChI: InChI=1S/C32H57OS.C24H41OS.C22H33OS.C21H35OS.C20H23OS2.C18H25O2S.C18H19OS.C16H23O2S.C16H23OS.C14H19OS.C13H17OS.C13H19OS/c1-3-5-7-9-11-13-15-17-19-24-28-34(30-32(33)31-26-22-21-23-27-31)29-25-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-16-20-26(21-17-12-10-8-6-4-2)22-24(25)23-18-14-13-15-19-23;1-17(2)24(20-15-7-4-8-16-20)22(19-13-9-10-14-19)21(23)18-11-5-3-6-12-18;1-7-9-15-23(16-10-8-2)20(21(4,5)6)19(22)18-13-11-17(3)12-14-18;1-20(2,23-14-6-7-15-23)19(21)16-10-12-18(13-11-16)22-17-8-4-3-5-9-17;19-18(14-21-12-4-5-13-21)15-8-10-17(11-9-15)20-16-6-2-1-3-7-16;19-17(15-9-3-1-4-10-15)18(20-13-7-8-14-20)16-11-5-2-6-12-16;1-4-18-14-9-12(2)16(13(3)10-14)15(17)11-19-7-5-6-8-19;1-12-9-13(2)11-15(10-12)16(17)14(3)18-7-5-4-6-8-18;1-14(2,16-10-6-7-11-16)13(15)12-8-4-3-5-9-12;1-11-4-6-12(7-5-11)13(14)10-15-8-2-3-9-15;1-4-15(11(2)3)10-13(14)12-8-6-5-7-9-12/h21-23,26-27H,3-20,24-25,28-30H2,1-2H3;13-15,18-19H,3-12,16-17,20-22H2,1-2H3;3,5-6,11-12,17,19-20,22H,4,7-10,13-16H2,1-2H3;11-14,20H,7-10,15-16H2,1-6H3;3-5,8-13H,6-7,14-15H2,1-2H3;8-11,16H,1-7,12-14H2;1-6,9-12,18H,7-8,13-14H2;9-10H,4-8,11H2,1-3H3;9-11,14H,4-8H2,1-3H3;3-5,8-9H,6-7,10-11H2,1-2H3;4-7H,2-3,8-10H2,1H3;5-9,11H,4,10H2,1-3H3/q12*+1
• InChIKey: GVOQKQJWNQLXNF-UHFFFAOYSA-N
• XLogP: 57.90
• TPSA: 223.30 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 90
• Heavy Atoms: 254
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3704.03
LogP ≤ 5	57.90
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of cyclohexyl-(1-cyclopentyl-2-oxo-2-phenylethyl)-propan-2-ylsulfanium;1-(4-cyclohexyloxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone;dibutyl-[3,3-dimethyl-1-(4-methylphenyl)-1-oxobutan-2-yl]sulfanium;didodecyl(phenacyl)sulfanium;1-(3,5-dimethylphenyl)-2-(thian-1-ium-1-yl)propan-1-one;dioctyl(phenacyl)sulfanium;1,2-diphenyl-2-(thiolan-1-ium-1-yl)ethanone;1-(4-ethoxy-2,6-dimethylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;ethyl-phenacyl-propan-2-ylsulfanium;2-methyl-1-(4-phenylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one?

The IUPAC name of cyclohexyl-(1-cyclopentyl-2-oxo-2-phenylethyl)-propan-2-ylsulfanium;1-(4-cyclohexyloxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone;dibutyl-[3,3-dimethyl-1-(4-methylphenyl)-1-oxobutan-2-yl]sulfanium;didodecyl(phenacyl)sulfanium;1-(3,5-dimethylphenyl)-2-(thian-1-ium-1-yl)propan-1-one;dioctyl(phenacyl)sulfanium;1,2-diphenyl-2-(thiolan-1-ium-1-yl)ethanone;1-(4-ethoxy-2,6-dimethylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;ethyl-phenacyl-propan-2-ylsulfanium;2-methyl-1-(4-phenylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one (CID 158379197) is cyclohexyl-(1-cyclopentyl-2-oxo-2-phenylethyl)-propan-2-ylsulfanium;1-(4-cyclohexyloxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone;dibutyl-[3,3-dimethyl-1-(4-methylphenyl)-1-oxobutan-2-yl]sulfanium;didodecyl(phenacyl)sulfanium;1-(3,5-dimethylphenyl)-2-(thian-1-ium-1-yl)propan-1-one;dioctyl(phenacyl)sulfanium;1,2-diphenyl-2-(thiolan-1-ium-1-yl)ethanone;1-(4-ethoxy-2,6-dimethylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;ethyl-phenacyl-propan-2-ylsulfanium;2-methyl-1-(4-phenylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one.

What is the SMILES notation for cyclohexyl-(1-cyclopentyl-2-oxo-2-phenylethyl)-propan-2-ylsulfanium;1-(4-cyclohexyloxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone;dibutyl-[3,3-dimethyl-1-(4-methylphenyl)-1-oxobutan-2-yl]sulfanium;didodecyl(phenacyl)sulfanium;1-(3,5-dimethylphenyl)-2-(thian-1-ium-1-yl)propan-1-one;dioctyl(phenacyl)sulfanium;1,2-diphenyl-2-(thiolan-1-ium-1-yl)ethanone;1-(4-ethoxy-2,6-dimethylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;ethyl-phenacyl-propan-2-ylsulfanium;2-methyl-1-(4-phenylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one?

The canonical SMILES for cyclohexyl-(1-cyclopentyl-2-oxo-2-phenylethyl)-propan-2-ylsulfanium;1-(4-cyclohexyloxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone;dibutyl-[3,3-dimethyl-1-(4-methylphenyl)-1-oxobutan-2-yl]sulfanium;didodecyl(phenacyl)sulfanium;1-(3,5-dimethylphenyl)-2-(thian-1-ium-1-yl)propan-1-one;dioctyl(phenacyl)sulfanium;1,2-diphenyl-2-(thiolan-1-ium-1-yl)ethanone;1-(4-ethoxy-2,6-dimethylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;ethyl-phenacyl-propan-2-ylsulfanium;2-methyl-1-(4-phenylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one is CC(C)(C(=O)c1ccc(Sc2ccccc2)cc1)[S+]1CCCC1.CC(C)(C(=O)c1ccccc1)[S+]1CCCC1.CC(C)[S+](C1CCCCC1)C(C(=O)c1ccccc1)C1CCCC1.CCCCCCCCCCCC[S+](CCCCCCCCCCCC)CC(=O)c1ccccc1.CCCCCCCC[S+](CCCCCCCC)CC(=O)c1ccccc1.CCCC[S+](CCCC)C(C(=O)c1ccc(C)cc1)C(C)(C)C.CCOc1cc(C)c(C(=O)C[S+]2CCCC2)c(C)c1.CC[S+](CC(=O)c1ccccc1)C(C)C.Cc1cc(C)cc(C(=O)C(C)[S+]2CCCCC2)c1.Cc1ccc(C(=O)C[S+]2CCCC2)cc1.O=C(C[S+]1CCCC1)c1ccc(OC2CCCCC2)cc1.O=C(c1ccccc1)C(c1ccccc1)[S+]1CCCC1.

What is the InChIKey of cyclohexyl-(1-cyclopentyl-2-oxo-2-phenylethyl)-propan-2-ylsulfanium;1-(4-cyclohexyloxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone;dibutyl-[3,3-dimethyl-1-(4-methylphenyl)-1-oxobutan-2-yl]sulfanium;didodecyl(phenacyl)sulfanium;1-(3,5-dimethylphenyl)-2-(thian-1-ium-1-yl)propan-1-one;dioctyl(phenacyl)sulfanium;1,2-diphenyl-2-(thiolan-1-ium-1-yl)ethanone;1-(4-ethoxy-2,6-dimethylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;ethyl-phenacyl-propan-2-ylsulfanium;2-methyl-1-(4-phenylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one?

The InChIKey is GVOQKQJWNQLXNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H57OS.C24H41OS.C22H33OS.C21H35OS.C20H23OS2.C18H25O2S.C18H19OS.C16H23O2S.C16H23OS.C14H19OS.C13H17OS.C13H19OS/c1-3-5-7-9-11-13-15-17-19-24-28-34(30-32(33)31-26-22-21-23-27-31)29-25-20-18-16-14-12-10-8-6-4-2;1-3-5-7-9-11-16-20-26(21-17-12-10-8-6-4-2)22-24(25)23-18-14-13-15-19-23;1-17(2)24(20-15-7-4-8-16-20)22(19-13-9-10-14-19)21(23)18-11-5-3-6-12-18;1-7-9-15-23(16-10-8-2)20(21(4,5)6)19(22)18-13-11-17(3)12-14-18;1-20(2,23-14-6-7-15-23)19(21)16-10-12-18(13-11-16)22-17-8-4-3-5-9-17;19-18(14-21-12-4-5-13-21)15-8-10-17(11-9-15)20-16-6-2-1-3-7-16;19-17(15-9-3-1-4-10-15)18(20-13-7-8-14-20)16-11-5-2-6-12-16;1-4-18-14-9-12(2)16(13(3)10-14)15(17)11-19-7-5-6-8-19;1-12-9-13(2)11-15(10-12)16(17)14(3)18-7-5-4-6-8-18;1-14(2,16-10-6-7-11-16)13(15)12-8-4-3-5-9-12;1-11-4-6-12(7-5-11)13(14)10-15-8-2-3-9-15;1-4-15(11(2)3)10-13(14)12-8-6-5-7-9-12/h21-23,26-27H,3-20,24-25,28-30H2,1-2H3;13-15,18-19H,3-12,16-17,20-22H2,1-2H3;3,5-6,11-12,17,19-20,22H,4,7-10,13-16H2,1-2H3;11-14,20H,7-10,15-16H2,1-6H3;3-5,8-13H,6-7,14-15H2,1-2H3;8-11,16H,1-7,12-14H2;1-6,9-12,18H,7-8,13-14H2;9-10H,4-8,11H2,1-3H3;9-11,14H,4-8H2,1-3H3;3-5,8-9H,6-7,10-11H2,1-2H3;4-7H,2-3,8-10H2,1H3;5-9,11H,4,10H2,1-3H3/q12*+1.

What are the key properties of cyclohexyl-(1-cyclopentyl-2-oxo-2-phenylethyl)-propan-2-ylsulfanium;1-(4-cyclohexyloxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone;dibutyl-[3,3-dimethyl-1-(4-methylphenyl)-1-oxobutan-2-yl]sulfanium;didodecyl(phenacyl)sulfanium;1-(3,5-dimethylphenyl)-2-(thian-1-ium-1-yl)propan-1-one;dioctyl(phenacyl)sulfanium;1,2-diphenyl-2-(thiolan-1-ium-1-yl)ethanone;1-(4-ethoxy-2,6-dimethylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;ethyl-phenacyl-propan-2-ylsulfanium;2-methyl-1-(4-phenylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one?

cyclohexyl-(1-cyclopentyl-2-oxo-2-phenylethyl)-propan-2-ylsulfanium;1-(4-cyclohexyloxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone;dibutyl-[3,3-dimethyl-1-(4-methylphenyl)-1-oxobutan-2-yl]sulfanium;didodecyl(phenacyl)sulfanium;1-(3,5-dimethylphenyl)-2-(thian-1-ium-1-yl)propan-1-one;dioctyl(phenacyl)sulfanium;1,2-diphenyl-2-(thiolan-1-ium-1-yl)ethanone;1-(4-ethoxy-2,6-dimethylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;ethyl-phenacyl-propan-2-ylsulfanium;2-methyl-1-(4-phenylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one has a molecular weight of 3704.03 g/mol, XLogP of 57.90, 90 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for cyclohexyl-(1-cyclopentyl-2-oxo-2-phenylethyl)-propan-2-ylsulfanium;1-(4-cyclohexyloxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone;dibutyl-[3,3-dimethyl-1-(4-methylphenyl)-1-oxobutan-2-yl]sulfanium;didodecyl(phenacyl)sulfanium;1-(3,5-dimethylphenyl)-2-(thian-1-ium-1-yl)propan-1-one;dioctyl(phenacyl)sulfanium;1,2-diphenyl-2-(thiolan-1-ium-1-yl)ethanone;1-(4-ethoxy-2,6-dimethylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;ethyl-phenacyl-propan-2-ylsulfanium;2-methyl-1-(4-phenylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;1-(4-methylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one is sourced from PubChem (CID 158379197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).