[4-(benzenesulfonyl)phenyl]-diphenylsulfanium;2-(bicyclo[2.2.1]heptane-2-carbonyloxy)-1,1,2-trifluoroethanesulfonate;4-[2-(2-bicyclo[2.2.1]heptanyl)propan-2-yloxycarbonyloxy]-1,1,2-trifluorobutane-1-sulfonate;4-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-1,1,2-trifluorobutane-1-sulfonate;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;1,1,2-trifluoro-4-naphthalen-2-yloxybutane-1-sulfonate;bis(triphenylsulfanium)

C124H128F12O25S10 — CID 159405045

About [4-(benzenesulfonyl)phenyl]-diphenylsulfanium;2-(bicyclo[2.2.1]heptane-2-carbonyloxy)-1,1,2-trifluoroethanesulfonate;4-[2-(2-bicyclo[2.2.1]heptanyl)propan-2-yloxycarbonyloxy]-1,1,2-trifluorobutane-1-sulfonate;4-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-1,1,2-trifluorobutane-1-sulfonate;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;1,1,2-trifluoro-4-naphthalen-2-yloxybutane-1-sulfonate;bis(triphenylsulfanium)

[4-(benzenesulfonyl)phenyl]-diphenylsulfanium;2-(bicyclo[2.2.1]heptane-2-carbonyloxy)-1,1,2-trifluoroethanesulfonate;4-[2-(2-bicyclo[2.2.1]heptanyl)propan-2-yloxycarbonyloxy]-1,1,2-trifluorobutane-1-sulfonate;4-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-1,1,2-trifluorobutane-1-sulfonate;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;1,1,2-trifluoro-4-naphthalen-2-yloxybutane-1-sulfonate;bis(triphenylsulfanium) (PubChem CID 159405045) has the molecular formula C124H128F12O25S10 and a molecular weight of 2567.01 g/mol. Its IUPAC name is [4-(benzenesulfonyl)phenyl]-diphenylsulfanium;2-(bicyclo[2.2.1]heptane-2-carbonyloxy)-1,1,2-trifluoroethanesulfonate;4-[2-(2-bicyclo[2.2.1]heptanyl)propan-2-yloxycarbonyloxy]-1,1,2-trifluorobutane-1-sulfonate;4-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-1,1,2-trifluorobutane-1-sulfonate;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;1,1,2-trifluoro-4-naphthalen-2-yloxybutane-1-sulfonate;bis(triphenylsulfanium).

Molecular Properties

• Compound Name: [4-(benzenesulfonyl)phenyl]-diphenylsulfanium;2-(bicyclo[2.2.1]heptane-2-carbonyloxy)-1,1,2-trifluoroethanesulfonate;4-[2-(2-bicyclo[2.2.1]heptanyl)propan-2-yloxycarbonyloxy]-1,1,2-trifluorobutane-1-sulfonate;4-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-1,1,2-trifluorobutane-1-sulfonate;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;1,1,2-trifluoro-4-naphthalen-2-yloxybutane-1-sulfonate;bis(triphenylsulfanium)
• PubChem CID: 159405045
• Molecular Formula: C124H128F12O25S10
• Molecular Weight: 2567.01 g/mol
• Exact Mass: 2564.58
• IUPAC Name: [4-(benzenesulfonyl)phenyl]-diphenylsulfanium;2-(bicyclo[2.2.1]heptane-2-carbonyloxy)-1,1,2-trifluoroethanesulfonate;4-[2-(2-bicyclo[2.2.1]heptanyl)propan-2-yloxycarbonyloxy]-1,1,2-trifluorobutane-1-sulfonate;4-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-1,1,2-trifluorobutane-1-sulfonate;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;1,1,2-trifluoro-4-naphthalen-2-yloxybutane-1-sulfonate;bis(triphenylsulfanium)
• SMILES: CC(C)(C(=O)c1ccccc1)[S+]1CCCC1.CC(C)(OC(=O)OCCC(F)C(F)(F)S(=O)(=O)[O-])C1CC2CCC1C2.O=C(OC(F)C(F)(F)S(=O)(=O)[O-])C1CC2CCC1C2.O=S(=O)([O-])C(F)(F)C(F)CCOc1ccc2ccccc2c1.O=S(=O)(c1ccccc1)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=S1(=O)OC2C3CC(CC31)C2OCCC(F)C(F)(F)S(=O)(=O)[O-].c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C24H19O2S2.2C18H15S.C15H23F3O6S.C14H13F3O4S.C14H19OS.C11H15F3O7S2.C10H13F3O5S/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;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-14(2,11-8-9-3-4-10(11)7-9)24-13(19)23-6-5-12(16)15(17,18)25(20,21)22;15-13(14(16,17)22(18,19)20)7-8-21-12-6-5-10-3-1-2-4-11(10)9-12;1-14(2,16-10-6-7-11-16)13(15)12-8-4-3-5-9-12;12-8(11(13,14)23(17,18)19)1-2-20-9-5-3-6-7(4-5)22(15,16)21-10(6)9;11-9(10(12,13)19(15,16)17)18-8(14)7-4-5-1-2-6(7)3-5/h1-19H;2*1-15H;9-12H,3-8H2,1-2H3,(H,20,21,22);1-6,9,13H,7-8H2,(H,18,19,20);3-5,8-9H,6-7,10-11H2,1-2H3;5-10H,1-4H2,(H,17,18,19);5-7,9H,1-4H2,(H,15,16,17)/q3*+1;;;+1;;/p-4
• InChIKey: LNVOVHFKSFACFU-UHFFFAOYSA-J
• XLogP: 26.32
• TPSA: 403.67 Ų
• H-Bond Acceptors: 25
• Rotatable Bonds: 37
• Heavy Atoms: 171
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2567.01
LogP ≤ 5	26.32
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-(benzenesulfonyl)phenyl]-diphenylsulfanium;2-(bicyclo[2.2.1]heptane-2-carbonyloxy)-1,1,2-trifluoroethanesulfonate;4-[2-(2-bicyclo[2.2.1]heptanyl)propan-2-yloxycarbonyloxy]-1,1,2-trifluorobutane-1-sulfonate;4-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-1,1,2-trifluorobutane-1-sulfonate;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;1,1,2-trifluoro-4-naphthalen-2-yloxybutane-1-sulfonate;bis(triphenylsulfanium)?

The IUPAC name of [4-(benzenesulfonyl)phenyl]-diphenylsulfanium;2-(bicyclo[2.2.1]heptane-2-carbonyloxy)-1,1,2-trifluoroethanesulfonate;4-[2-(2-bicyclo[2.2.1]heptanyl)propan-2-yloxycarbonyloxy]-1,1,2-trifluorobutane-1-sulfonate;4-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-1,1,2-trifluorobutane-1-sulfonate;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;1,1,2-trifluoro-4-naphthalen-2-yloxybutane-1-sulfonate;bis(triphenylsulfanium) (CID 159405045) is [4-(benzenesulfonyl)phenyl]-diphenylsulfanium;2-(bicyclo[2.2.1]heptane-2-carbonyloxy)-1,1,2-trifluoroethanesulfonate;4-[2-(2-bicyclo[2.2.1]heptanyl)propan-2-yloxycarbonyloxy]-1,1,2-trifluorobutane-1-sulfonate;4-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-1,1,2-trifluorobutane-1-sulfonate;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;1,1,2-trifluoro-4-naphthalen-2-yloxybutane-1-sulfonate;bis(triphenylsulfanium).

What is the SMILES notation for [4-(benzenesulfonyl)phenyl]-diphenylsulfanium;2-(bicyclo[2.2.1]heptane-2-carbonyloxy)-1,1,2-trifluoroethanesulfonate;4-[2-(2-bicyclo[2.2.1]heptanyl)propan-2-yloxycarbonyloxy]-1,1,2-trifluorobutane-1-sulfonate;4-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-1,1,2-trifluorobutane-1-sulfonate;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;1,1,2-trifluoro-4-naphthalen-2-yloxybutane-1-sulfonate;bis(triphenylsulfanium)?

The canonical SMILES for [4-(benzenesulfonyl)phenyl]-diphenylsulfanium;2-(bicyclo[2.2.1]heptane-2-carbonyloxy)-1,1,2-trifluoroethanesulfonate;4-[2-(2-bicyclo[2.2.1]heptanyl)propan-2-yloxycarbonyloxy]-1,1,2-trifluorobutane-1-sulfonate;4-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-1,1,2-trifluorobutane-1-sulfonate;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;1,1,2-trifluoro-4-naphthalen-2-yloxybutane-1-sulfonate;bis(triphenylsulfanium) is CC(C)(C(=O)c1ccccc1)[S+]1CCCC1.CC(C)(OC(=O)OCCC(F)C(F)(F)S(=O)(=O)[O-])C1CC2CCC1C2.O=C(OC(F)C(F)(F)S(=O)(=O)[O-])C1CC2CCC1C2.O=S(=O)([O-])C(F)(F)C(F)CCOc1ccc2ccccc2c1.O=S(=O)(c1ccccc1)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=S1(=O)OC2C3CC(CC31)C2OCCC(F)C(F)(F)S(=O)(=O)[O-].c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of [4-(benzenesulfonyl)phenyl]-diphenylsulfanium;2-(bicyclo[2.2.1]heptane-2-carbonyloxy)-1,1,2-trifluoroethanesulfonate;4-[2-(2-bicyclo[2.2.1]heptanyl)propan-2-yloxycarbonyloxy]-1,1,2-trifluorobutane-1-sulfonate;4-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-1,1,2-trifluorobutane-1-sulfonate;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;1,1,2-trifluoro-4-naphthalen-2-yloxybutane-1-sulfonate;bis(triphenylsulfanium)?

The InChIKey is LNVOVHFKSFACFU-UHFFFAOYSA-J. The full InChI is InChI=1S/C24H19O2S2.2C18H15S.C15H23F3O6S.C14H13F3O4S.C14H19OS.C11H15F3O7S2.C10H13F3O5S/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;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-14(2,11-8-9-3-4-10(11)7-9)24-13(19)23-6-5-12(16)15(17,18)25(20,21)22;15-13(14(16,17)22(18,19)20)7-8-21-12-6-5-10-3-1-2-4-11(10)9-12;1-14(2,16-10-6-7-11-16)13(15)12-8-4-3-5-9-12;12-8(11(13,14)23(17,18)19)1-2-20-9-5-3-6-7(4-5)22(15,16)21-10(6)9;11-9(10(12,13)19(15,16)17)18-8(14)7-4-5-1-2-6(7)3-5/h1-19H;2*1-15H;9-12H,3-8H2,1-2H3,(H,20,21,22);1-6,9,13H,7-8H2,(H,18,19,20);3-5,8-9H,6-7,10-11H2,1-2H3;5-10H,1-4H2,(H,17,18,19);5-7,9H,1-4H2,(H,15,16,17)/q3*+1;;;+1;;/p-4.

What are the key properties of [4-(benzenesulfonyl)phenyl]-diphenylsulfanium;2-(bicyclo[2.2.1]heptane-2-carbonyloxy)-1,1,2-trifluoroethanesulfonate;4-[2-(2-bicyclo[2.2.1]heptanyl)propan-2-yloxycarbonyloxy]-1,1,2-trifluorobutane-1-sulfonate;4-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-1,1,2-trifluorobutane-1-sulfonate;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;1,1,2-trifluoro-4-naphthalen-2-yloxybutane-1-sulfonate;bis(triphenylsulfanium)?

[4-(benzenesulfonyl)phenyl]-diphenylsulfanium;2-(bicyclo[2.2.1]heptane-2-carbonyloxy)-1,1,2-trifluoroethanesulfonate;4-[2-(2-bicyclo[2.2.1]heptanyl)propan-2-yloxycarbonyloxy]-1,1,2-trifluorobutane-1-sulfonate;4-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-1,1,2-trifluorobutane-1-sulfonate;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;1,1,2-trifluoro-4-naphthalen-2-yloxybutane-1-sulfonate;bis(triphenylsulfanium) has a molecular weight of 2567.01 g/mol, XLogP of 26.32, 37 rotatable bonds, 0 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for [4-(benzenesulfonyl)phenyl]-diphenylsulfanium;2-(bicyclo[2.2.1]heptane-2-carbonyloxy)-1,1,2-trifluoroethanesulfonate;4-[2-(2-bicyclo[2.2.1]heptanyl)propan-2-yloxycarbonyloxy]-1,1,2-trifluorobutane-1-sulfonate;4-[(5,5-dioxo-4-oxa-5λ6-thiatricyclo[4.2.1.03,7]nonan-2-yl)oxy]-1,1,2-trifluorobutane-1-sulfonate;2-methyl-1-phenyl-2-(thiolan-1-ium-1-yl)propan-1-one;1,1,2-trifluoro-4-naphthalen-2-yloxybutane-1-sulfonate;bis(triphenylsulfanium) is sourced from PubChem (CID 159405045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).