cyclohexyl-(1-cyclopentyl-2-oxo-2-phenylethyl)-propan-2-ylsulfanium;1-(4-cyclohexyloxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone;1-(3,5-dimethylphenyl)-2-(thian-1-ium-1-yl)ethanone;1-(4-ethoxy-2,6-dimethylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;1-(4-ethylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;1-(4-phenoxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone

C103H140O9S7+6 — CID 158017572

About cyclohexyl-(1-cyclopentyl-2-oxo-2-phenylethyl)-propan-2-ylsulfanium;1-(4-cyclohexyloxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone;1-(3,5-dimethylphenyl)-2-(thian-1-ium-1-yl)ethanone;1-(4-ethoxy-2,6-dimethylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;1-(4-ethylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;1-(4-phenoxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone

cyclohexyl-(1-cyclopentyl-2-oxo-2-phenylethyl)-propan-2-ylsulfanium;1-(4-cyclohexyloxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone;1-(3,5-dimethylphenyl)-2-(thian-1-ium-1-yl)ethanone;1-(4-ethoxy-2,6-dimethylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;1-(4-ethylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;1-(4-phenoxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone (PubChem CID 158017572) has the molecular formula C103H140O9S7+6 and a molecular weight of 1746.71 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-(3,5-dimethylphenyl)-2-(thian-1-ium-1-yl)ethanone;1-(4-ethoxy-2,6-dimethylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;1-(4-ethylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;1-(4-phenoxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone.

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-(3,5-dimethylphenyl)-2-(thian-1-ium-1-yl)ethanone;1-(4-ethoxy-2,6-dimethylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;1-(4-ethylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;1-(4-phenoxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone
• PubChem CID: 158017572
• Molecular Formula: C103H140O9S7+6
• Molecular Weight: 1746.71 g/mol
• Exact Mass: 1744.85
• IUPAC Name: cyclohexyl-(1-cyclopentyl-2-oxo-2-phenylethyl)-propan-2-ylsulfanium;1-(4-cyclohexyloxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone;1-(3,5-dimethylphenyl)-2-(thian-1-ium-1-yl)ethanone;1-(4-ethoxy-2,6-dimethylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;1-(4-ethylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;1-(4-phenoxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone
• SMILES: CC(C)[S+](C1CCCCC1)C(C(=O)c1ccccc1)C1CCCC1.CCOc1cc(C)c(C(=O)C[S+]2CCCC2)c(C)c1.CCSc1ccc(C(=O)C[S+]2CCCC2)cc1.Cc1cc(C)cc(C(=O)C[S+]2CCCCC2)c1.O=C(C[S+]1CCCC1)c1ccc(OC2CCCCC2)cc1.O=C(C[S+]1CCCC1)c1ccc(Oc2ccccc2)cc1
• InChI: InChI=1S/C22H33OS.C18H25O2S.C18H19O2S.C16H23O2S.C15H21OS.C14H19OS2/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;2*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;1-12-8-13(2)10-14(9-12)15(16)11-17-6-4-3-5-7-17;1-2-16-13-7-5-12(6-8-13)14(15)11-17-9-3-4-10-17/h3,5-6,11-12,17,19-20,22H,4,7-10,13-16H2,1-2H3;8-11,16H,1-7,12-14H2;1-3,6-11H,4-5,12-14H2;9-10H,4-8,11H2,1-3H3;8-10H,3-7,11H2,1-2H3;5-8H,2-4,9-11H2,1H3/q6*+1
• InChIKey: FFQUQQLPGPAZMF-UHFFFAOYSA-N
• XLogP: 23.83
• TPSA: 130.11 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 29
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1746.71
LogP ≤ 5	23.83
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

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-(3,5-dimethylphenyl)-2-(thian-1-ium-1-yl)ethanone;1-(4-ethoxy-2,6-dimethylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;1-(4-ethylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;1-(4-phenoxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone?

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-(3,5-dimethylphenyl)-2-(thian-1-ium-1-yl)ethanone;1-(4-ethoxy-2,6-dimethylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;1-(4-ethylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;1-(4-phenoxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone (CID 158017572) is cyclohexyl-(1-cyclopentyl-2-oxo-2-phenylethyl)-propan-2-ylsulfanium;1-(4-cyclohexyloxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone;1-(3,5-dimethylphenyl)-2-(thian-1-ium-1-yl)ethanone;1-(4-ethoxy-2,6-dimethylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;1-(4-ethylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;1-(4-phenoxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone.

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-(3,5-dimethylphenyl)-2-(thian-1-ium-1-yl)ethanone;1-(4-ethoxy-2,6-dimethylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;1-(4-ethylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;1-(4-phenoxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone?

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-(3,5-dimethylphenyl)-2-(thian-1-ium-1-yl)ethanone;1-(4-ethoxy-2,6-dimethylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;1-(4-ethylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;1-(4-phenoxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone is CC(C)[S+](C1CCCCC1)C(C(=O)c1ccccc1)C1CCCC1.CCOc1cc(C)c(C(=O)C[S+]2CCCC2)c(C)c1.CCSc1ccc(C(=O)C[S+]2CCCC2)cc1.Cc1cc(C)cc(C(=O)C[S+]2CCCCC2)c1.O=C(C[S+]1CCCC1)c1ccc(OC2CCCCC2)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-(3,5-dimethylphenyl)-2-(thian-1-ium-1-yl)ethanone;1-(4-ethoxy-2,6-dimethylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;1-(4-ethylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;1-(4-phenoxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone?

The InChIKey is FFQUQQLPGPAZMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H33OS.C18H25O2S.C18H19O2S.C16H23O2S.C15H21OS.C14H19OS2/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;2*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;1-12-8-13(2)10-14(9-12)15(16)11-17-6-4-3-5-7-17;1-2-16-13-7-5-12(6-8-13)14(15)11-17-9-3-4-10-17/h3,5-6,11-12,17,19-20,22H,4,7-10,13-16H2,1-2H3;8-11,16H,1-7,12-14H2;1-3,6-11H,4-5,12-14H2;9-10H,4-8,11H2,1-3H3;8-10H,3-7,11H2,1-2H3;5-8H,2-4,9-11H2,1H3/q6*+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-(3,5-dimethylphenyl)-2-(thian-1-ium-1-yl)ethanone;1-(4-ethoxy-2,6-dimethylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;1-(4-ethylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;1-(4-phenoxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone?

cyclohexyl-(1-cyclopentyl-2-oxo-2-phenylethyl)-propan-2-ylsulfanium;1-(4-cyclohexyloxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone;1-(3,5-dimethylphenyl)-2-(thian-1-ium-1-yl)ethanone;1-(4-ethoxy-2,6-dimethylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;1-(4-ethylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;1-(4-phenoxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone has a molecular weight of 1746.71 g/mol, XLogP of 23.83, 29 rotatable bonds, 0 hydrogen bond donors, and 10 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-(3,5-dimethylphenyl)-2-(thian-1-ium-1-yl)ethanone;1-(4-ethoxy-2,6-dimethylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;1-(4-ethylsulfanylphenyl)-2-(thiolan-1-ium-1-yl)ethanone;1-(4-phenoxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone is sourced from PubChem (CID 158017572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).