(4-tert-butylphenyl)-diphenylsulfanium;tris(2-(3-cyclohexyloxycarbonylbicyclo[2.2.1]heptane-2-carbonyl)oxy-1,1-difluoroethanesulfonate);1,1-difluoro-2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxyethanesulfonate;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;tris(4-methylphenyl)sulfanium

C139H162F8O30S8 — CID 157268009

About (4-tert-butylphenyl)-diphenylsulfanium;tris(2-(3-cyclohexyloxycarbonylbicyclo[2.2.1]heptane-2-carbonyl)oxy-1,1-difluoroethanesulfonate);1,1-difluoro-2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxyethanesulfonate;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;tris(4-methylphenyl)sulfanium

(4-tert-butylphenyl)-diphenylsulfanium;tris(2-(3-cyclohexyloxycarbonylbicyclo[2.2.1]heptane-2-carbonyl)oxy-1,1-difluoroethanesulfonate);1,1-difluoro-2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxyethanesulfonate;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;tris(4-methylphenyl)sulfanium (PubChem CID 157268009) has the molecular formula C139H162F8O30S8 and a molecular weight of 2721.31 g/mol. Its IUPAC name is (4-tert-butylphenyl)-diphenylsulfanium;tris(2-(3-cyclohexyloxycarbonylbicyclo[2.2.1]heptane-2-carbonyl)oxy-1,1-difluoroethanesulfonate);1,1-difluoro-2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxyethanesulfonate;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;tris(4-methylphenyl)sulfanium.

Molecular Properties

• Compound Name: (4-tert-butylphenyl)-diphenylsulfanium;tris(2-(3-cyclohexyloxycarbonylbicyclo[2.2.1]heptane-2-carbonyl)oxy-1,1-difluoroethanesulfonate);1,1-difluoro-2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxyethanesulfonate;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;tris(4-methylphenyl)sulfanium
• PubChem CID: 157268009
• Molecular Formula: C139H162F8O30S8
• Molecular Weight: 2721.31 g/mol
• Exact Mass: 2718.88
• IUPAC Name: (4-tert-butylphenyl)-diphenylsulfanium;tris(2-(3-cyclohexyloxycarbonylbicyclo[2.2.1]heptane-2-carbonyl)oxy-1,1-difluoroethanesulfonate);1,1-difluoro-2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxyethanesulfonate;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;tris(4-methylphenyl)sulfanium
• SMILES: CC(C)(C)Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(C)(C)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cc1ccc([S+](c2ccc(C)cc2)c2ccc(C)cc2)cc1.O=C(C[S+]1CCCC1)c1ccccc1.O=C(OCC(F)(F)S(=O)(=O)[O-])C1C2CC3OC(=O)C1C3C2.O=C(OCC(F)(F)S(=O)(=O)[O-])C1C2CCC(C2)C1C(=O)OC1CCCCC1.O=C(OCC(F)(F)S(=O)(=O)[O-])C1C2CCC(C2)C1C(=O)OC1CCCCC1.O=C(OCC(F)(F)S(=O)(=O)[O-])C1C2CCC(C2)C1C(=O)OC1CCCCC1
• InChI: InChI=1S/C22H23OS.C22H23S.C21H21S.3C17H24F2O7S.C12H15OS.C11H12F2O7S/c1-22(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;1-22(2,3)18-14-16-21(17-15-18)23(19-10-6-4-7-11-19)20-12-8-5-9-13-20;1-16-4-10-19(11-5-16)22(20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21;3*18-17(19,27(22,23)24)9-25-15(20)13-10-6-7-11(8-10)14(13)16(21)26-12-4-2-1-3-5-12;13-12(10-14-8-4-5-9-14)11-6-2-1-3-7-11;12-11(13,21(16,17)18)3-19-9(14)7-4-1-5-6(2-4)20-10(15)8(5)7/h4-17H,1-3H3;4-17H,1-3H3;4-15H,1-3H3;3*10-14H,1-9H2,(H,22,23,24);1-3,6-7H,4-5,8-10H2;4-8H,1-3H2,(H,16,17,18)/q3*+1;;;;+1;/p-4
• InChIKey: AYFDVEBPEJLCPN-UHFFFAOYSA-J
• XLogP: 26.51
• TPSA: 465.50 Ų
• H-Bond Acceptors: 30
• Rotatable Bonds: 35
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2721.31
LogP ≤ 5	26.51
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	30

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (4-tert-butylphenyl)-diphenylsulfanium;tris(2-(3-cyclohexyloxycarbonylbicyclo[2.2.1]heptane-2-carbonyl)oxy-1,1-difluoroethanesulfonate);1,1-difluoro-2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxyethanesulfonate;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;tris(4-methylphenyl)sulfanium?

The IUPAC name of (4-tert-butylphenyl)-diphenylsulfanium;tris(2-(3-cyclohexyloxycarbonylbicyclo[2.2.1]heptane-2-carbonyl)oxy-1,1-difluoroethanesulfonate);1,1-difluoro-2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxyethanesulfonate;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;tris(4-methylphenyl)sulfanium (CID 157268009) is (4-tert-butylphenyl)-diphenylsulfanium;tris(2-(3-cyclohexyloxycarbonylbicyclo[2.2.1]heptane-2-carbonyl)oxy-1,1-difluoroethanesulfonate);1,1-difluoro-2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxyethanesulfonate;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;tris(4-methylphenyl)sulfanium.

What is the SMILES notation for (4-tert-butylphenyl)-diphenylsulfanium;tris(2-(3-cyclohexyloxycarbonylbicyclo[2.2.1]heptane-2-carbonyl)oxy-1,1-difluoroethanesulfonate);1,1-difluoro-2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxyethanesulfonate;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;tris(4-methylphenyl)sulfanium?

The canonical SMILES for (4-tert-butylphenyl)-diphenylsulfanium;tris(2-(3-cyclohexyloxycarbonylbicyclo[2.2.1]heptane-2-carbonyl)oxy-1,1-difluoroethanesulfonate);1,1-difluoro-2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxyethanesulfonate;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;tris(4-methylphenyl)sulfanium is CC(C)(C)Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(C)(C)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cc1ccc([S+](c2ccc(C)cc2)c2ccc(C)cc2)cc1.O=C(C[S+]1CCCC1)c1ccccc1.O=C(OCC(F)(F)S(=O)(=O)[O-])C1C2CC3OC(=O)C1C3C2.O=C(OCC(F)(F)S(=O)(=O)[O-])C1C2CCC(C2)C1C(=O)OC1CCCCC1.O=C(OCC(F)(F)S(=O)(=O)[O-])C1C2CCC(C2)C1C(=O)OC1CCCCC1.O=C(OCC(F)(F)S(=O)(=O)[O-])C1C2CCC(C2)C1C(=O)OC1CCCCC1.

What is the InChIKey of (4-tert-butylphenyl)-diphenylsulfanium;tris(2-(3-cyclohexyloxycarbonylbicyclo[2.2.1]heptane-2-carbonyl)oxy-1,1-difluoroethanesulfonate);1,1-difluoro-2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxyethanesulfonate;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;tris(4-methylphenyl)sulfanium?

The InChIKey is AYFDVEBPEJLCPN-UHFFFAOYSA-J. The full InChI is InChI=1S/C22H23OS.C22H23S.C21H21S.3C17H24F2O7S.C12H15OS.C11H12F2O7S/c1-22(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;1-22(2,3)18-14-16-21(17-15-18)23(19-10-6-4-7-11-19)20-12-8-5-9-13-20;1-16-4-10-19(11-5-16)22(20-12-6-17(2)7-13-20)21-14-8-18(3)9-15-21;3*18-17(19,27(22,23)24)9-25-15(20)13-10-6-7-11(8-10)14(13)16(21)26-12-4-2-1-3-5-12;13-12(10-14-8-4-5-9-14)11-6-2-1-3-7-11;12-11(13,21(16,17)18)3-19-9(14)7-4-1-5-6(2-4)20-10(15)8(5)7/h4-17H,1-3H3;4-17H,1-3H3;4-15H,1-3H3;3*10-14H,1-9H2,(H,22,23,24);1-3,6-7H,4-5,8-10H2;4-8H,1-3H2,(H,16,17,18)/q3*+1;;;;+1;/p-4.

What are the key properties of (4-tert-butylphenyl)-diphenylsulfanium;tris(2-(3-cyclohexyloxycarbonylbicyclo[2.2.1]heptane-2-carbonyl)oxy-1,1-difluoroethanesulfonate);1,1-difluoro-2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxyethanesulfonate;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;tris(4-methylphenyl)sulfanium?

(4-tert-butylphenyl)-diphenylsulfanium;tris(2-(3-cyclohexyloxycarbonylbicyclo[2.2.1]heptane-2-carbonyl)oxy-1,1-difluoroethanesulfonate);1,1-difluoro-2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxyethanesulfonate;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;tris(4-methylphenyl)sulfanium has a molecular weight of 2721.31 g/mol, XLogP of 26.51, 35 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.

Where does this data come from?

All data for (4-tert-butylphenyl)-diphenylsulfanium;tris(2-(3-cyclohexyloxycarbonylbicyclo[2.2.1]heptane-2-carbonyl)oxy-1,1-difluoroethanesulfonate);1,1-difluoro-2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxyethanesulfonate;[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;1-phenyl-2-(thiolan-1-ium-1-yl)ethanone;tris(4-methylphenyl)sulfanium is sourced from PubChem (CID 157268009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).