(4-acetyloxyphenyl)-diphenylsulfanium;4-dibenzothiophen-5-ium-5-yl-2,3,5,6-tetrafluorophenol;10-[2,6-difluoro-4-[(2,3,4,5,6-pentafluorophenyl)methoxy]phenyl]phenoxathiin-10-ium;10-(2,4-difluorophenyl)phenoxathiin-10-ium;5-(2,4-difluorophenyl)thianthren-5-ium;(4-ethoxyphenyl)-diphenylsulfanium;tris[4-(2,2,2-trifluoroacetyl)phenyl]sulfanium

C143H91F24O10S8+7 — CID 167670684

About (4-acetyloxyphenyl)-diphenylsulfanium;4-dibenzothiophen-5-ium-5-yl-2,3,5,6-tetrafluorophenol;10-[2,6-difluoro-4-[(2,3,4,5,6-pentafluorophenyl)methoxy]phenyl]phenoxathiin-10-ium;10-(2,4-difluorophenyl)phenoxathiin-10-ium;5-(2,4-difluorophenyl)thianthren-5-ium;(4-ethoxyphenyl)-diphenylsulfanium;tris[4-(2,2,2-trifluoroacetyl)phenyl]sulfanium

(4-acetyloxyphenyl)-diphenylsulfanium;4-dibenzothiophen-5-ium-5-yl-2,3,5,6-tetrafluorophenol;10-[2,6-difluoro-4-[(2,3,4,5,6-pentafluorophenyl)methoxy]phenyl]phenoxathiin-10-ium;10-(2,4-difluorophenyl)phenoxathiin-10-ium;5-(2,4-difluorophenyl)thianthren-5-ium;(4-ethoxyphenyl)-diphenylsulfanium;tris[4-(2,2,2-trifluoroacetyl)phenyl]sulfanium (PubChem CID 167670684) has the molecular formula C143H91F24O10S8+7 and a molecular weight of 2681.78 g/mol. Its IUPAC name is (4-acetyloxyphenyl)-diphenylsulfanium;4-dibenzothiophen-5-ium-5-yl-2,3,5,6-tetrafluorophenol;10-[2,6-difluoro-4-[(2,3,4,5,6-pentafluorophenyl)methoxy]phenyl]phenoxathiin-10-ium;10-(2,4-difluorophenyl)phenoxathiin-10-ium;5-(2,4-difluorophenyl)thianthren-5-ium;(4-ethoxyphenyl)-diphenylsulfanium;tris[4-(2,2,2-trifluoroacetyl)phenyl]sulfanium.

Molecular Properties

• Compound Name: (4-acetyloxyphenyl)-diphenylsulfanium;4-dibenzothiophen-5-ium-5-yl-2,3,5,6-tetrafluorophenol;10-[2,6-difluoro-4-[(2,3,4,5,6-pentafluorophenyl)methoxy]phenyl]phenoxathiin-10-ium;10-(2,4-difluorophenyl)phenoxathiin-10-ium;5-(2,4-difluorophenyl)thianthren-5-ium;(4-ethoxyphenyl)-diphenylsulfanium;tris[4-(2,2,2-trifluoroacetyl)phenyl]sulfanium
• PubChem CID: 167670684
• Molecular Formula: C143H91F24O10S8+7
• Molecular Weight: 2681.78 g/mol
• Exact Mass: 2679.40
• IUPAC Name: (4-acetyloxyphenyl)-diphenylsulfanium;4-dibenzothiophen-5-ium-5-yl-2,3,5,6-tetrafluorophenol;10-[2,6-difluoro-4-[(2,3,4,5,6-pentafluorophenyl)methoxy]phenyl]phenoxathiin-10-ium;10-(2,4-difluorophenyl)phenoxathiin-10-ium;5-(2,4-difluorophenyl)thianthren-5-ium;(4-ethoxyphenyl)-diphenylsulfanium;tris[4-(2,2,2-trifluoroacetyl)phenyl]sulfanium
• SMILES: CC(=O)Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Fc1cc(OCc2c(F)c(F)c(F)c(F)c2F)cc(F)c1[S+]1c2ccccc2Oc2ccccc21.Fc1ccc([S+]2c3ccccc3Oc3ccccc32)c(F)c1.Fc1ccc([S+]2c3ccccc3Sc3ccccc32)c(F)c1.O=C(c1ccc([S+](c2ccc(C(=O)C(F)(F)F)cc2)c2ccc(C(=O)C(F)(F)F)cc2)cc1)C(F)(F)F.Oc1c(F)c(F)c(-[s+]2c3ccccc3c3ccccc32)c(F)c1F
• InChI: InChI=1S/C25H12F7O2S.C24H12F9O3S.C20H17O2S.C20H19OS.C18H8F4OS.C18H11F2OS.C18H11F2S2/c26-14-9-12(33-11-13-20(28)22(30)24(32)23(31)21(13)29)10-15(27)25(14)35-18-7-3-1-5-16(18)34-17-6-2-4-8-19(17)35;25-22(26,27)19(34)13-1-7-16(8-2-13)37(17-9-3-14(4-10-17)20(35)23(28,29)30)18-11-5-15(6-12-18)21(36)24(31,32)33;1-16(21)22-17-12-14-20(15-13-17)23(18-8-4-2-5-9-18)19-10-6-3-7-11-19;1-2-21-17-13-15-20(16-14-17)22(18-9-5-3-6-10-18)19-11-7-4-8-12-19;19-13-15(21)18(16(22)14(20)17(13)23)24-11-7-3-1-5-9(11)10-6-2-4-8-12(10)24;2*19-12-9-10-16(13(20)11-12)22-17-7-3-1-5-14(17)21-15-6-2-4-8-18(15)22/h1-10H,11H2;1-12H;2-15H,1H3;3-16H,2H2,1H3;1-8H;2*1-11H/q4*+1;;2*+1/p+1
• InChIKey: UBIDYCLXLJIQRS-UHFFFAOYSA-O
• XLogP: 41.03
• TPSA: 134.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 22
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2681.78
LogP ≤ 5	41.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

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': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4-acetyloxyphenyl)-diphenylsulfanium;4-dibenzothiophen-5-ium-5-yl-2,3,5,6-tetrafluorophenol;10-[2,6-difluoro-4-[(2,3,4,5,6-pentafluorophenyl)methoxy]phenyl]phenoxathiin-10-ium;10-(2,4-difluorophenyl)phenoxathiin-10-ium;5-(2,4-difluorophenyl)thianthren-5-ium;(4-ethoxyphenyl)-diphenylsulfanium;tris[4-(2,2,2-trifluoroacetyl)phenyl]sulfanium?

The IUPAC name of (4-acetyloxyphenyl)-diphenylsulfanium;4-dibenzothiophen-5-ium-5-yl-2,3,5,6-tetrafluorophenol;10-[2,6-difluoro-4-[(2,3,4,5,6-pentafluorophenyl)methoxy]phenyl]phenoxathiin-10-ium;10-(2,4-difluorophenyl)phenoxathiin-10-ium;5-(2,4-difluorophenyl)thianthren-5-ium;(4-ethoxyphenyl)-diphenylsulfanium;tris[4-(2,2,2-trifluoroacetyl)phenyl]sulfanium (CID 167670684) is (4-acetyloxyphenyl)-diphenylsulfanium;4-dibenzothiophen-5-ium-5-yl-2,3,5,6-tetrafluorophenol;10-[2,6-difluoro-4-[(2,3,4,5,6-pentafluorophenyl)methoxy]phenyl]phenoxathiin-10-ium;10-(2,4-difluorophenyl)phenoxathiin-10-ium;5-(2,4-difluorophenyl)thianthren-5-ium;(4-ethoxyphenyl)-diphenylsulfanium;tris[4-(2,2,2-trifluoroacetyl)phenyl]sulfanium.

What is the SMILES notation for (4-acetyloxyphenyl)-diphenylsulfanium;4-dibenzothiophen-5-ium-5-yl-2,3,5,6-tetrafluorophenol;10-[2,6-difluoro-4-[(2,3,4,5,6-pentafluorophenyl)methoxy]phenyl]phenoxathiin-10-ium;10-(2,4-difluorophenyl)phenoxathiin-10-ium;5-(2,4-difluorophenyl)thianthren-5-ium;(4-ethoxyphenyl)-diphenylsulfanium;tris[4-(2,2,2-trifluoroacetyl)phenyl]sulfanium?

The canonical SMILES for (4-acetyloxyphenyl)-diphenylsulfanium;4-dibenzothiophen-5-ium-5-yl-2,3,5,6-tetrafluorophenol;10-[2,6-difluoro-4-[(2,3,4,5,6-pentafluorophenyl)methoxy]phenyl]phenoxathiin-10-ium;10-(2,4-difluorophenyl)phenoxathiin-10-ium;5-(2,4-difluorophenyl)thianthren-5-ium;(4-ethoxyphenyl)-diphenylsulfanium;tris[4-(2,2,2-trifluoroacetyl)phenyl]sulfanium is CC(=O)Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Fc1cc(OCc2c(F)c(F)c(F)c(F)c2F)cc(F)c1[S+]1c2ccccc2Oc2ccccc21.Fc1ccc([S+]2c3ccccc3Oc3ccccc32)c(F)c1.Fc1ccc([S+]2c3ccccc3Sc3ccccc32)c(F)c1.O=C(c1ccc([S+](c2ccc(C(=O)C(F)(F)F)cc2)c2ccc(C(=O)C(F)(F)F)cc2)cc1)C(F)(F)F.Oc1c(F)c(F)c(-[s+]2c3ccccc3c3ccccc32)c(F)c1F.

What is the InChIKey of (4-acetyloxyphenyl)-diphenylsulfanium;4-dibenzothiophen-5-ium-5-yl-2,3,5,6-tetrafluorophenol;10-[2,6-difluoro-4-[(2,3,4,5,6-pentafluorophenyl)methoxy]phenyl]phenoxathiin-10-ium;10-(2,4-difluorophenyl)phenoxathiin-10-ium;5-(2,4-difluorophenyl)thianthren-5-ium;(4-ethoxyphenyl)-diphenylsulfanium;tris[4-(2,2,2-trifluoroacetyl)phenyl]sulfanium?

The InChIKey is UBIDYCLXLJIQRS-UHFFFAOYSA-O. The full InChI is InChI=1S/C25H12F7O2S.C24H12F9O3S.C20H17O2S.C20H19OS.C18H8F4OS.C18H11F2OS.C18H11F2S2/c26-14-9-12(33-11-13-20(28)22(30)24(32)23(31)21(13)29)10-15(27)25(14)35-18-7-3-1-5-16(18)34-17-6-2-4-8-19(17)35;25-22(26,27)19(34)13-1-7-16(8-2-13)37(17-9-3-14(4-10-17)20(35)23(28,29)30)18-11-5-15(6-12-18)21(36)24(31,32)33;1-16(21)22-17-12-14-20(15-13-17)23(18-8-4-2-5-9-18)19-10-6-3-7-11-19;1-2-21-17-13-15-20(16-14-17)22(18-9-5-3-6-10-18)19-11-7-4-8-12-19;19-13-15(21)18(16(22)14(20)17(13)23)24-11-7-3-1-5-9(11)10-6-2-4-8-12(10)24;2*19-12-9-10-16(13(20)11-12)22-17-7-3-1-5-14(17)21-15-6-2-4-8-18(15)22/h1-10H,11H2;1-12H;2-15H,1H3;3-16H,2H2,1H3;1-8H;2*1-11H/q4*+1;;2*+1/p+1.

What are the key properties of (4-acetyloxyphenyl)-diphenylsulfanium;4-dibenzothiophen-5-ium-5-yl-2,3,5,6-tetrafluorophenol;10-[2,6-difluoro-4-[(2,3,4,5,6-pentafluorophenyl)methoxy]phenyl]phenoxathiin-10-ium;10-(2,4-difluorophenyl)phenoxathiin-10-ium;5-(2,4-difluorophenyl)thianthren-5-ium;(4-ethoxyphenyl)-diphenylsulfanium;tris[4-(2,2,2-trifluoroacetyl)phenyl]sulfanium?

(4-acetyloxyphenyl)-diphenylsulfanium;4-dibenzothiophen-5-ium-5-yl-2,3,5,6-tetrafluorophenol;10-[2,6-difluoro-4-[(2,3,4,5,6-pentafluorophenyl)methoxy]phenyl]phenoxathiin-10-ium;10-(2,4-difluorophenyl)phenoxathiin-10-ium;5-(2,4-difluorophenyl)thianthren-5-ium;(4-ethoxyphenyl)-diphenylsulfanium;tris[4-(2,2,2-trifluoroacetyl)phenyl]sulfanium has a molecular weight of 2681.78 g/mol, XLogP of 41.03, 22 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for (4-acetyloxyphenyl)-diphenylsulfanium;4-dibenzothiophen-5-ium-5-yl-2,3,5,6-tetrafluorophenol;10-[2,6-difluoro-4-[(2,3,4,5,6-pentafluorophenyl)methoxy]phenyl]phenoxathiin-10-ium;10-(2,4-difluorophenyl)phenoxathiin-10-ium;5-(2,4-difluorophenyl)thianthren-5-ium;(4-ethoxyphenyl)-diphenylsulfanium;tris[4-(2,2,2-trifluoroacetyl)phenyl]sulfanium is sourced from PubChem (CID 167670684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).