cyclohexyl-(1-cyclopentyl-2-oxo-2-phenylethyl)-propan-2-ylsulfanium;1-(4-cyclohexyloxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;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

C146H207O11S10+9 — CID 158394813

About cyclohexyl-(1-cyclopentyl-2-oxo-2-phenylethyl)-propan-2-ylsulfanium;1-(4-cyclohexyloxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;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;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;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 158394813) has the molecular formula C146H207O11S10+9 and a molecular weight of 2458.92 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;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;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;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;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: 158394813
• Molecular Formula: C146H207O11S10+9
• Molecular Weight: 2458.92 g/mol
• Exact Mass: 2456.28
• IUPAC Name: cyclohexyl-(1-cyclopentyl-2-oxo-2-phenylethyl)-propan-2-ylsulfanium;1-(4-cyclohexyloxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;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(=O)c1ccc(C2CCCCC2)cc1)[S+]1CCCC1.CC(C)(C(=O)c1ccc(Sc2ccccc2)cc1)[S+]1CCCC1.CC(C)(C(=O)c1ccccc1)[S+]1CCCC1.CC(C)C(=O)C(C)(C)[S+]1CCCC1.CC(C)[S+](C1CCCCC1)C(C(=O)c1ccccc1)C1CCCC1.CCOc1cc(C)c(C(=O)C[S+]2CCCC2)c(C)c1.CC[S+](CC(=O)c1ccccc1)C(C)C.Cc1ccc(C(=O)C[S+]2CCCC2)cc1.O=C(C[S+]1CCCC1)c1ccc(OC2CCCCC2)cc1
• InChI: InChI=1S/C22H33OS.C20H23OS2.C19H27OS.C18H25O2S.C16H23O2S.C14H19OS.C13H17OS.C13H19OS.C11H21OS/c1-17(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;1-20(2,23-14-6-7-15-23)19(21)16-10-12-18(13-11-16)22-17-8-4-3-5-9-17;1-15(21-13-5-6-14-21)19(20)18-11-9-17(10-12-18)16-7-3-2-4-8-16;19-18(14-21-12-4-5-13-21)15-8-10-17(11-9-15)20-16-6-2-1-3-7-16;1-4-18-14-9-12(2)16(13(3)10-14)15(17)11-19-7-5-6-8-19;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;1-9(2)10(12)11(3,4)13-7-5-6-8-13/h3,5-6,11-12,17,19-20,22H,4,7-10,13-16H2,1-2H3;3-5,8-13H,6-7,14-15H2,1-2H3;9-12,15-16H,2-8,13-14H2,1H3;8-11,16H,1-7,12-14H2;9-10H,4-8,11H2,1-3H3;3-5,8-9H,6-7,10-11H2,1-2H3;4-7H,2-3,8-10H2,1H3;5-9,11H,4,10H2,1-3H3;9H,5-8H2,1-4H3/q9*+1
• InChIKey: GXKKNSOMUPVGMK-UHFFFAOYSA-N
• XLogP: 33.97
• TPSA: 172.09 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 39
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2458.92
LogP ≤ 5	33.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

• Structural Alerts: {'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;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;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;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;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 158394813) is cyclohexyl-(1-cyclopentyl-2-oxo-2-phenylethyl)-propan-2-ylsulfanium;1-(4-cyclohexyloxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;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;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;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;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;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(=O)c1ccc(C2CCCCC2)cc1)[S+]1CCCC1.CC(C)(C(=O)c1ccc(Sc2ccccc2)cc1)[S+]1CCCC1.CC(C)(C(=O)c1ccccc1)[S+]1CCCC1.CC(C)C(=O)C(C)(C)[S+]1CCCC1.CC(C)[S+](C1CCCCC1)C(C(=O)c1ccccc1)C1CCCC1.CCOc1cc(C)c(C(=O)C[S+]2CCCC2)c(C)c1.CC[S+](CC(=O)c1ccccc1)C(C)C.Cc1ccc(C(=O)C[S+]2CCCC2)cc1.O=C(C[S+]1CCCC1)c1ccc(OC2CCCCC2)cc1.

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;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;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 GXKKNSOMUPVGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33OS.C20H23OS2.C19H27OS.C18H25O2S.C16H23O2S.C14H19OS.C13H17OS.C13H19OS.C11H21OS/c1-17(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;1-20(2,23-14-6-7-15-23)19(21)16-10-12-18(13-11-16)22-17-8-4-3-5-9-17;1-15(21-13-5-6-14-21)19(20)18-11-9-17(10-12-18)16-7-3-2-4-8-16;19-18(14-21-12-4-5-13-21)15-8-10-17(11-9-15)20-16-6-2-1-3-7-16;1-4-18-14-9-12(2)16(13(3)10-14)15(17)11-19-7-5-6-8-19;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;1-9(2)10(12)11(3,4)13-7-5-6-8-13/h3,5-6,11-12,17,19-20,22H,4,7-10,13-16H2,1-2H3;3-5,8-13H,6-7,14-15H2,1-2H3;9-12,15-16H,2-8,13-14H2,1H3;8-11,16H,1-7,12-14H2;9-10H,4-8,11H2,1-3H3;3-5,8-9H,6-7,10-11H2,1-2H3;4-7H,2-3,8-10H2,1H3;5-9,11H,4,10H2,1-3H3;9H,5-8H2,1-4H3/q9*+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;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;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;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;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 2458.92 g/mol, XLogP of 33.97, 39 rotatable bonds, 0 hydrogen bond donors, and 12 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;1-(4-cyclohexylphenyl)-2-(thiolan-1-ium-1-yl)propan-1-one;2,4-dimethyl-2-(thiolan-1-ium-1-yl)pentan-3-one;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 158394813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).