4-[[2-ethyl-4,6-di(propan-2-yl)phenyl]methyl]-2,3,5,6-tetrafluorobenzenesulfonate;1-(4-methoxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone;5-(4-methylphenyl)dibenzothiophen-5-ium;2,3,5,6-tetrafluoro-4-[4-methyl-2,6-di(propan-2-yl)benzoyl]oxybenzenesulfonate;2,3,5,6-tetrafluoro-4-[2-(2,4,6-tricyclohexylphenyl)ethyl]benzenesulfonate;triphenylsulfanium

C123H128F12O13S6 — CID 158094068

About 4-[[2-ethyl-4,6-di(propan-2-yl)phenyl]methyl]-2,3,5,6-tetrafluorobenzenesulfonate;1-(4-methoxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone;5-(4-methylphenyl)dibenzothiophen-5-ium;2,3,5,6-tetrafluoro-4-[4-methyl-2,6-di(propan-2-yl)benzoyl]oxybenzenesulfonate;2,3,5,6-tetrafluoro-4-[2-(2,4,6-tricyclohexylphenyl)ethyl]benzenesulfonate;triphenylsulfanium

4-[[2-ethyl-4,6-di(propan-2-yl)phenyl]methyl]-2,3,5,6-tetrafluorobenzenesulfonate;1-(4-methoxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone;5-(4-methylphenyl)dibenzothiophen-5-ium;2,3,5,6-tetrafluoro-4-[4-methyl-2,6-di(propan-2-yl)benzoyl]oxybenzenesulfonate;2,3,5,6-tetrafluoro-4-[2-(2,4,6-tricyclohexylphenyl)ethyl]benzenesulfonate;triphenylsulfanium (PubChem CID 158094068) has the molecular formula C123H128F12O13S6 and a molecular weight of 2234.74 g/mol. Its IUPAC name is 4-[[2-ethyl-4,6-di(propan-2-yl)phenyl]methyl]-2,3,5,6-tetrafluorobenzenesulfonate;1-(4-methoxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone;5-(4-methylphenyl)dibenzothiophen-5-ium;2,3,5,6-tetrafluoro-4-[4-methyl-2,6-di(propan-2-yl)benzoyl]oxybenzenesulfonate;2,3,5,6-tetrafluoro-4-[2-(2,4,6-tricyclohexylphenyl)ethyl]benzenesulfonate;triphenylsulfanium.

Molecular Properties

• Compound Name: 4-[[2-ethyl-4,6-di(propan-2-yl)phenyl]methyl]-2,3,5,6-tetrafluorobenzenesulfonate;1-(4-methoxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone;5-(4-methylphenyl)dibenzothiophen-5-ium;2,3,5,6-tetrafluoro-4-[4-methyl-2,6-di(propan-2-yl)benzoyl]oxybenzenesulfonate;2,3,5,6-tetrafluoro-4-[2-(2,4,6-tricyclohexylphenyl)ethyl]benzenesulfonate;triphenylsulfanium
• PubChem CID: 158094068
• Molecular Formula: C123H128F12O13S6
• Molecular Weight: 2234.74 g/mol
• Exact Mass: 2232.75
• IUPAC Name: 4-[[2-ethyl-4,6-di(propan-2-yl)phenyl]methyl]-2,3,5,6-tetrafluorobenzenesulfonate;1-(4-methoxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone;5-(4-methylphenyl)dibenzothiophen-5-ium;2,3,5,6-tetrafluoro-4-[4-methyl-2,6-di(propan-2-yl)benzoyl]oxybenzenesulfonate;2,3,5,6-tetrafluoro-4-[2-(2,4,6-tricyclohexylphenyl)ethyl]benzenesulfonate;triphenylsulfanium
• SMILES: CCc1cc(C(C)C)cc(C(C)C)c1Cc1c(F)c(F)c(S(=O)(=O)[O-])c(F)c1F.COc1ccc(C(=O)C[S+]2CCCC2)cc1.Cc1cc(C(C)C)c(C(=O)Oc2c(F)c(F)c(S(=O)(=O)[O-])c(F)c2F)c(C(C)C)c1.Cc1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.O=S(=O)([O-])c1c(F)c(F)c(CCc2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c(F)c1F.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C32H40F4O3S.C21H24F4O3S.C20H20F4O5S.C19H15S.C18H15S.C13H17O2S/c33-28-25(29(34)31(36)32(30(28)35)40(37,38)39)17-16-24-26(21-12-6-2-7-13-21)18-23(20-10-4-1-5-11-20)19-27(24)22-14-8-3-9-15-22;1-6-12-7-13(10(2)3)8-14(11(4)5)15(12)9-16-17(22)19(24)21(29(26,27)28)20(25)18(16)23;1-8(2)11-6-10(5)7-12(9(3)4)13(11)20(25)29-18-14(21)16(23)19(30(26,27)28)17(24)15(18)22;1-14-10-12-15(13-11-14)20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-15-12-6-4-11(5-7-12)13(14)10-16-8-2-3-9-16/h18-22H,1-17H2,(H,37,38,39);7-8,10-11H,6,9H2,1-5H3,(H,26,27,28);6-9H,1-5H3,(H,26,27,28);2-13H,1H3;1-15H;4-7H,2-3,8-10H2,1H3/q;;;3*+1/p-3
• InChIKey: FOLOMLBGBDAPNV-UHFFFAOYSA-K
• XLogP: 32.66
• TPSA: 224.20 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 26
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2234.74
LogP ≤ 5	32.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-[[2-ethyl-4,6-di(propan-2-yl)phenyl]methyl]-2,3,5,6-tetrafluorobenzenesulfonate;1-(4-methoxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone;5-(4-methylphenyl)dibenzothiophen-5-ium;2,3,5,6-tetrafluoro-4-[4-methyl-2,6-di(propan-2-yl)benzoyl]oxybenzenesulfonate;2,3,5,6-tetrafluoro-4-[2-(2,4,6-tricyclohexylphenyl)ethyl]benzenesulfonate;triphenylsulfanium?

The IUPAC name of 4-[[2-ethyl-4,6-di(propan-2-yl)phenyl]methyl]-2,3,5,6-tetrafluorobenzenesulfonate;1-(4-methoxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone;5-(4-methylphenyl)dibenzothiophen-5-ium;2,3,5,6-tetrafluoro-4-[4-methyl-2,6-di(propan-2-yl)benzoyl]oxybenzenesulfonate;2,3,5,6-tetrafluoro-4-[2-(2,4,6-tricyclohexylphenyl)ethyl]benzenesulfonate;triphenylsulfanium (CID 158094068) is 4-[[2-ethyl-4,6-di(propan-2-yl)phenyl]methyl]-2,3,5,6-tetrafluorobenzenesulfonate;1-(4-methoxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone;5-(4-methylphenyl)dibenzothiophen-5-ium;2,3,5,6-tetrafluoro-4-[4-methyl-2,6-di(propan-2-yl)benzoyl]oxybenzenesulfonate;2,3,5,6-tetrafluoro-4-[2-(2,4,6-tricyclohexylphenyl)ethyl]benzenesulfonate;triphenylsulfanium.

What is the SMILES notation for 4-[[2-ethyl-4,6-di(propan-2-yl)phenyl]methyl]-2,3,5,6-tetrafluorobenzenesulfonate;1-(4-methoxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone;5-(4-methylphenyl)dibenzothiophen-5-ium;2,3,5,6-tetrafluoro-4-[4-methyl-2,6-di(propan-2-yl)benzoyl]oxybenzenesulfonate;2,3,5,6-tetrafluoro-4-[2-(2,4,6-tricyclohexylphenyl)ethyl]benzenesulfonate;triphenylsulfanium?

The canonical SMILES for 4-[[2-ethyl-4,6-di(propan-2-yl)phenyl]methyl]-2,3,5,6-tetrafluorobenzenesulfonate;1-(4-methoxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone;5-(4-methylphenyl)dibenzothiophen-5-ium;2,3,5,6-tetrafluoro-4-[4-methyl-2,6-di(propan-2-yl)benzoyl]oxybenzenesulfonate;2,3,5,6-tetrafluoro-4-[2-(2,4,6-tricyclohexylphenyl)ethyl]benzenesulfonate;triphenylsulfanium is CCc1cc(C(C)C)cc(C(C)C)c1Cc1c(F)c(F)c(S(=O)(=O)[O-])c(F)c1F.COc1ccc(C(=O)C[S+]2CCCC2)cc1.Cc1cc(C(C)C)c(C(=O)Oc2c(F)c(F)c(S(=O)(=O)[O-])c(F)c2F)c(C(C)C)c1.Cc1ccc(-[s+]2c3ccccc3c3ccccc32)cc1.O=S(=O)([O-])c1c(F)c(F)c(CCc2c(C3CCCCC3)cc(C3CCCCC3)cc2C2CCCCC2)c(F)c1F.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of 4-[[2-ethyl-4,6-di(propan-2-yl)phenyl]methyl]-2,3,5,6-tetrafluorobenzenesulfonate;1-(4-methoxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone;5-(4-methylphenyl)dibenzothiophen-5-ium;2,3,5,6-tetrafluoro-4-[4-methyl-2,6-di(propan-2-yl)benzoyl]oxybenzenesulfonate;2,3,5,6-tetrafluoro-4-[2-(2,4,6-tricyclohexylphenyl)ethyl]benzenesulfonate;triphenylsulfanium?

The InChIKey is FOLOMLBGBDAPNV-UHFFFAOYSA-K. The full InChI is InChI=1S/C32H40F4O3S.C21H24F4O3S.C20H20F4O5S.C19H15S.C18H15S.C13H17O2S/c33-28-25(29(34)31(36)32(30(28)35)40(37,38)39)17-16-24-26(21-12-6-2-7-13-21)18-23(20-10-4-1-5-11-20)19-27(24)22-14-8-3-9-15-22;1-6-12-7-13(10(2)3)8-14(11(4)5)15(12)9-16-17(22)19(24)21(29(26,27)28)20(25)18(16)23;1-8(2)11-6-10(5)7-12(9(3)4)13(11)20(25)29-18-14(21)16(23)19(30(26,27)28)17(24)15(18)22;1-14-10-12-15(13-11-14)20-18-8-4-2-6-16(18)17-7-3-5-9-19(17)20;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-15-12-6-4-11(5-7-12)13(14)10-16-8-2-3-9-16/h18-22H,1-17H2,(H,37,38,39);7-8,10-11H,6,9H2,1-5H3,(H,26,27,28);6-9H,1-5H3,(H,26,27,28);2-13H,1H3;1-15H;4-7H,2-3,8-10H2,1H3/q;;;3*+1/p-3.

What are the key properties of 4-[[2-ethyl-4,6-di(propan-2-yl)phenyl]methyl]-2,3,5,6-tetrafluorobenzenesulfonate;1-(4-methoxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone;5-(4-methylphenyl)dibenzothiophen-5-ium;2,3,5,6-tetrafluoro-4-[4-methyl-2,6-di(propan-2-yl)benzoyl]oxybenzenesulfonate;2,3,5,6-tetrafluoro-4-[2-(2,4,6-tricyclohexylphenyl)ethyl]benzenesulfonate;triphenylsulfanium?

4-[[2-ethyl-4,6-di(propan-2-yl)phenyl]methyl]-2,3,5,6-tetrafluorobenzenesulfonate;1-(4-methoxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone;5-(4-methylphenyl)dibenzothiophen-5-ium;2,3,5,6-tetrafluoro-4-[4-methyl-2,6-di(propan-2-yl)benzoyl]oxybenzenesulfonate;2,3,5,6-tetrafluoro-4-[2-(2,4,6-tricyclohexylphenyl)ethyl]benzenesulfonate;triphenylsulfanium has a molecular weight of 2234.74 g/mol, XLogP of 32.66, 26 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[2-ethyl-4,6-di(propan-2-yl)phenyl]methyl]-2,3,5,6-tetrafluorobenzenesulfonate;1-(4-methoxyphenyl)-2-(thiolan-1-ium-1-yl)ethanone;5-(4-methylphenyl)dibenzothiophen-5-ium;2,3,5,6-tetrafluoro-4-[4-methyl-2,6-di(propan-2-yl)benzoyl]oxybenzenesulfonate;2,3,5,6-tetrafluoro-4-[2-(2,4,6-tricyclohexylphenyl)ethyl]benzenesulfonate;triphenylsulfanium is sourced from PubChem (CID 158094068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).