(4-cyclohexylsulfonylphenyl)-diphenylsulfanium;diphenyl-[4-(trifluoromethoxy)phenyl]sulfanium;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;(3-fluoro-4-hydroxyphenyl)-diphenylsulfanium;(4-fluoro-3-hydroxyphenyl)-diphenylsulfanium;5-(4-fluorophenyl)dibenzothiophen-5-ium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;10-[4-(trifluoromethyl)phenyl]phenoxathiin-10-ium

C157H128F12O7S9+8 — CID 160505098

About (4-cyclohexylsulfonylphenyl)-diphenylsulfanium;diphenyl-[4-(trifluoromethoxy)phenyl]sulfanium;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;(3-fluoro-4-hydroxyphenyl)-diphenylsulfanium;(4-fluoro-3-hydroxyphenyl)-diphenylsulfanium;5-(4-fluorophenyl)dibenzothiophen-5-ium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;10-[4-(trifluoromethyl)phenyl]phenoxathiin-10-ium

(4-cyclohexylsulfonylphenyl)-diphenylsulfanium;diphenyl-[4-(trifluoromethoxy)phenyl]sulfanium;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;(3-fluoro-4-hydroxyphenyl)-diphenylsulfanium;(4-fluoro-3-hydroxyphenyl)-diphenylsulfanium;5-(4-fluorophenyl)dibenzothiophen-5-ium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;10-[4-(trifluoromethyl)phenyl]phenoxathiin-10-ium (PubChem CID 160505098) has the molecular formula C157H128F12O7S9+8 and a molecular weight of 2643.32 g/mol. Its IUPAC name is (4-cyclohexylsulfonylphenyl)-diphenylsulfanium;diphenyl-[4-(trifluoromethoxy)phenyl]sulfanium;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;(3-fluoro-4-hydroxyphenyl)-diphenylsulfanium;(4-fluoro-3-hydroxyphenyl)-diphenylsulfanium;5-(4-fluorophenyl)dibenzothiophen-5-ium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;10-[4-(trifluoromethyl)phenyl]phenoxathiin-10-ium.

Molecular Properties

• Compound Name: (4-cyclohexylsulfonylphenyl)-diphenylsulfanium;diphenyl-[4-(trifluoromethoxy)phenyl]sulfanium;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;(3-fluoro-4-hydroxyphenyl)-diphenylsulfanium;(4-fluoro-3-hydroxyphenyl)-diphenylsulfanium;5-(4-fluorophenyl)dibenzothiophen-5-ium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;10-[4-(trifluoromethyl)phenyl]phenoxathiin-10-ium
• PubChem CID: 160505098
• Molecular Formula: C157H128F12O7S9+8
• Molecular Weight: 2643.32 g/mol
• Exact Mass: 2640.69
• IUPAC Name: (4-cyclohexylsulfonylphenyl)-diphenylsulfanium;diphenyl-[4-(trifluoromethoxy)phenyl]sulfanium;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;(3-fluoro-4-hydroxyphenyl)-diphenylsulfanium;(4-fluoro-3-hydroxyphenyl)-diphenylsulfanium;5-(4-fluorophenyl)dibenzothiophen-5-ium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;10-[4-(trifluoromethyl)phenyl]phenoxathiin-10-ium
• SMILES: CC(C)(C)Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.FC(F)(F)Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.FC(F)(F)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.FC(F)(F)c1ccc([S+]2c3ccccc3Oc3ccccc32)cc1.Fc1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.O=S(=O)(c1ccc([S+](c2ccccc2)c2ccccc2)cc1)C1CCCCC1.Oc1cc([S+](c2ccccc2)c2ccccc2)ccc1F.Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1F
• InChI: InChI=1S/C24H25O2S2.C22H23OS.C19H12F3OS.C19H14F3OS.C19H14F3S.2C18H13FOS.C18H12FS/c25-28(26,23-14-8-3-9-15-23)24-18-16-22(17-19-24)27(20-10-4-1-5-11-20)21-12-6-2-7-13-21;1-22(2,3)23-18-14-16-21(17-15-18)24(19-10-6-4-7-11-19)20-12-8-5-9-13-20;20-19(21,22)13-9-11-14(12-10-13)24-17-7-3-1-5-15(17)23-16-6-2-4-8-18(16)24;20-19(21,22)23-15-11-13-18(14-12-15)24(16-7-3-1-4-8-16)17-9-5-2-6-10-17;20-19(21,22)15-11-13-18(14-12-15)23(16-7-3-1-4-8-16)17-9-5-2-6-10-17;19-17-13-16(11-12-18(17)20)21(14-7-3-1-4-8-14)15-9-5-2-6-10-15;19-17-12-11-16(13-18(17)20)21(14-7-3-1-4-8-14)15-9-5-2-6-10-15;19-13-9-11-14(12-10-13)20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20/h1-2,4-7,10-13,16-19,23H,3,8-9,14-15H2;4-17H,1-3H3;1-12H;1-14H;1-14H;2*1-13H;1-12H/q5*+1;;;+1/p+2
• InChIKey: QSHHKMBJQOSGIU-UHFFFAOYSA-P
• XLogP: 44.36
• TPSA: 102.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 24
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2643.32
LogP ≤ 5	44.36
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4-cyclohexylsulfonylphenyl)-diphenylsulfanium;diphenyl-[4-(trifluoromethoxy)phenyl]sulfanium;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;(3-fluoro-4-hydroxyphenyl)-diphenylsulfanium;(4-fluoro-3-hydroxyphenyl)-diphenylsulfanium;5-(4-fluorophenyl)dibenzothiophen-5-ium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;10-[4-(trifluoromethyl)phenyl]phenoxathiin-10-ium?

The IUPAC name of (4-cyclohexylsulfonylphenyl)-diphenylsulfanium;diphenyl-[4-(trifluoromethoxy)phenyl]sulfanium;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;(3-fluoro-4-hydroxyphenyl)-diphenylsulfanium;(4-fluoro-3-hydroxyphenyl)-diphenylsulfanium;5-(4-fluorophenyl)dibenzothiophen-5-ium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;10-[4-(trifluoromethyl)phenyl]phenoxathiin-10-ium (CID 160505098) is (4-cyclohexylsulfonylphenyl)-diphenylsulfanium;diphenyl-[4-(trifluoromethoxy)phenyl]sulfanium;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;(3-fluoro-4-hydroxyphenyl)-diphenylsulfanium;(4-fluoro-3-hydroxyphenyl)-diphenylsulfanium;5-(4-fluorophenyl)dibenzothiophen-5-ium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;10-[4-(trifluoromethyl)phenyl]phenoxathiin-10-ium.

What is the SMILES notation for (4-cyclohexylsulfonylphenyl)-diphenylsulfanium;diphenyl-[4-(trifluoromethoxy)phenyl]sulfanium;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;(3-fluoro-4-hydroxyphenyl)-diphenylsulfanium;(4-fluoro-3-hydroxyphenyl)-diphenylsulfanium;5-(4-fluorophenyl)dibenzothiophen-5-ium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;10-[4-(trifluoromethyl)phenyl]phenoxathiin-10-ium?

The canonical SMILES for (4-cyclohexylsulfonylphenyl)-diphenylsulfanium;diphenyl-[4-(trifluoromethoxy)phenyl]sulfanium;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;(3-fluoro-4-hydroxyphenyl)-diphenylsulfanium;(4-fluoro-3-hydroxyphenyl)-diphenylsulfanium;5-(4-fluorophenyl)dibenzothiophen-5-ium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;10-[4-(trifluoromethyl)phenyl]phenoxathiin-10-ium is CC(C)(C)Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.FC(F)(F)Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.FC(F)(F)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.FC(F)(F)c1ccc([S+]2c3ccccc3Oc3ccccc32)cc1.Fc1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.O=S(=O)(c1ccc([S+](c2ccccc2)c2ccccc2)cc1)C1CCCCC1.Oc1cc([S+](c2ccccc2)c2ccccc2)ccc1F.Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1F.

What is the InChIKey of (4-cyclohexylsulfonylphenyl)-diphenylsulfanium;diphenyl-[4-(trifluoromethoxy)phenyl]sulfanium;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;(3-fluoro-4-hydroxyphenyl)-diphenylsulfanium;(4-fluoro-3-hydroxyphenyl)-diphenylsulfanium;5-(4-fluorophenyl)dibenzothiophen-5-ium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;10-[4-(trifluoromethyl)phenyl]phenoxathiin-10-ium?

The InChIKey is QSHHKMBJQOSGIU-UHFFFAOYSA-P. The full InChI is InChI=1S/C24H25O2S2.C22H23OS.C19H12F3OS.C19H14F3OS.C19H14F3S.2C18H13FOS.C18H12FS/c25-28(26,23-14-8-3-9-15-23)24-18-16-22(17-19-24)27(20-10-4-1-5-11-20)21-12-6-2-7-13-21;1-22(2,3)23-18-14-16-21(17-15-18)24(19-10-6-4-7-11-19)20-12-8-5-9-13-20;20-19(21,22)13-9-11-14(12-10-13)24-17-7-3-1-5-15(17)23-16-6-2-4-8-18(16)24;20-19(21,22)23-15-11-13-18(14-12-15)24(16-7-3-1-4-8-16)17-9-5-2-6-10-17;20-19(21,22)15-11-13-18(14-12-15)23(16-7-3-1-4-8-16)17-9-5-2-6-10-17;19-17-13-16(11-12-18(17)20)21(14-7-3-1-4-8-14)15-9-5-2-6-10-15;19-17-12-11-16(13-18(17)20)21(14-7-3-1-4-8-14)15-9-5-2-6-10-15;19-13-9-11-14(12-10-13)20-17-7-3-1-5-15(17)16-6-2-4-8-18(16)20/h1-2,4-7,10-13,16-19,23H,3,8-9,14-15H2;4-17H,1-3H3;1-12H;1-14H;1-14H;2*1-13H;1-12H/q5*+1;;;+1/p+2.

What are the key properties of (4-cyclohexylsulfonylphenyl)-diphenylsulfanium;diphenyl-[4-(trifluoromethoxy)phenyl]sulfanium;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;(3-fluoro-4-hydroxyphenyl)-diphenylsulfanium;(4-fluoro-3-hydroxyphenyl)-diphenylsulfanium;5-(4-fluorophenyl)dibenzothiophen-5-ium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;10-[4-(trifluoromethyl)phenyl]phenoxathiin-10-ium?

(4-cyclohexylsulfonylphenyl)-diphenylsulfanium;diphenyl-[4-(trifluoromethoxy)phenyl]sulfanium;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;(3-fluoro-4-hydroxyphenyl)-diphenylsulfanium;(4-fluoro-3-hydroxyphenyl)-diphenylsulfanium;5-(4-fluorophenyl)dibenzothiophen-5-ium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;10-[4-(trifluoromethyl)phenyl]phenoxathiin-10-ium has a molecular weight of 2643.32 g/mol, XLogP of 44.36, 24 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (4-cyclohexylsulfonylphenyl)-diphenylsulfanium;diphenyl-[4-(trifluoromethoxy)phenyl]sulfanium;diphenyl-[4-(trifluoromethyl)phenyl]sulfanium;(3-fluoro-4-hydroxyphenyl)-diphenylsulfanium;(4-fluoro-3-hydroxyphenyl)-diphenylsulfanium;5-(4-fluorophenyl)dibenzothiophen-5-ium;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;10-[4-(trifluoromethyl)phenyl]phenoxathiin-10-ium is sourced from PubChem (CID 160505098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).