bis(3-methoxyphenyl)-(3-methylphenyl)sulfanium;tris(4-butan-2-ylphenol);[(4-butan-2-ylphenoxy)sulfonyl-difluoromethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;tert-butyl 2,2-dimethylbutanoate;3-cyclohexylpentan-3-yl 2,2-dimethylbutanoate;1-phenylethyl 2,2-dimethylbutanoate;triphenylsulfanium

C135H176F11NO24S7 — CID 158196737

About bis(3-methoxyphenyl)-(3-methylphenyl)sulfanium;tris(4-butan-2-ylphenol);[(4-butan-2-ylphenoxy)sulfonyl-difluoromethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;tert-butyl 2,2-dimethylbutanoate;3-cyclohexylpentan-3-yl 2,2-dimethylbutanoate;1-phenylethyl 2,2-dimethylbutanoate;triphenylsulfanium

bis(3-methoxyphenyl)-(3-methylphenyl)sulfanium;tris(4-butan-2-ylphenol);[(4-butan-2-ylphenoxy)sulfonyl-difluoromethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;tert-butyl 2,2-dimethylbutanoate;3-cyclohexylpentan-3-yl 2,2-dimethylbutanoate;1-phenylethyl 2,2-dimethylbutanoate;triphenylsulfanium (PubChem CID 158196737) has the molecular formula C135H176F11NO24S7 and a molecular weight of 2630.32 g/mol. Its IUPAC name is bis(3-methoxyphenyl)-(3-methylphenyl)sulfanium;tris(4-butan-2-ylphenol);[(4-butan-2-ylphenoxy)sulfonyl-difluoromethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;tert-butyl 2,2-dimethylbutanoate;3-cyclohexylpentan-3-yl 2,2-dimethylbutanoate;1-phenylethyl 2,2-dimethylbutanoate;triphenylsulfanium.

Molecular Properties

• Compound Name: bis(3-methoxyphenyl)-(3-methylphenyl)sulfanium;tris(4-butan-2-ylphenol);[(4-butan-2-ylphenoxy)sulfonyl-difluoromethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;tert-butyl 2,2-dimethylbutanoate;3-cyclohexylpentan-3-yl 2,2-dimethylbutanoate;1-phenylethyl 2,2-dimethylbutanoate;triphenylsulfanium
• PubChem CID: 158196737
• Molecular Formula: C135H176F11NO24S7
• Molecular Weight: 2630.32 g/mol
• Exact Mass: 2628.05
• IUPAC Name: bis(3-methoxyphenyl)-(3-methylphenyl)sulfanium;tris(4-butan-2-ylphenol);[(4-butan-2-ylphenoxy)sulfonyl-difluoromethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;tert-butyl 2,2-dimethylbutanoate;3-cyclohexylpentan-3-yl 2,2-dimethylbutanoate;1-phenylethyl 2,2-dimethylbutanoate;triphenylsulfanium
• SMILES: CCC(C)(C)C(=O)OC(C)(C)C.CCC(C)(C)C(=O)OC(C)c1ccccc1.CCC(C)(C)C(=O)OC(CC)(CC)C1CCCCC1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[O-])cc1.CCC(C)c1ccc(OS(=O)(=O)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)cc1.COc1cccc([S+](c2cccc(C)c2)c2cccc(OC)c2)c1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C21H21O2S.C18H15S.C17H32O2.C14H20O2.C13H14F6O6S2.C12H13F5NO7S3.C10H20O2.3C10H14O/c1-16-7-4-10-19(13-16)24(20-11-5-8-17(14-20)22-2)21-12-6-9-18(15-21)23-3;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-6-16(4,5)15(18)19-17(7-2,8-3)14-12-10-9-11-13-14;1-5-14(3,4)13(15)16-11(2)12-9-7-6-8-10-12;1-3-8(2)9-4-6-10(7-5-9)25-27(23,24)13(18,19)11(14,15)12(16,17)26(20,21)22;1-3-8(2)9-4-6-10(7-5-9)25-28(23,24)12(16,17)27(21,22)18-26(19,20)11(13,14)15;1-7-10(5,6)8(11)12-9(2,3)4;3*1-3-8(2)9-4-6-10(11)7-5-9/h4-15H,1-3H3;1-15H;14H,6-13H2,1-5H3;6-11H,5H2,1-4H3;4-8H,3H2,1-2H3,(H,20,21,22);4-8H,3H2,1-2H3;7H2,1-6H3;3*4-8,11H,3H2,1-2H3/q2*+1;;;;-1;;;;/p-1
• InChIKey: GAKSRUXYWCNXGI-UHFFFAOYSA-M
• XLogP: 36.49
• TPSA: 384.37 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 24
• Rotatable Bonds: 42
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2630.32
LogP ≤ 5	36.49
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	24

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': 'Perfluorinated_chain', '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 bis(3-methoxyphenyl)-(3-methylphenyl)sulfanium;tris(4-butan-2-ylphenol);[(4-butan-2-ylphenoxy)sulfonyl-difluoromethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;tert-butyl 2,2-dimethylbutanoate;3-cyclohexylpentan-3-yl 2,2-dimethylbutanoate;1-phenylethyl 2,2-dimethylbutanoate;triphenylsulfanium?

The IUPAC name of bis(3-methoxyphenyl)-(3-methylphenyl)sulfanium;tris(4-butan-2-ylphenol);[(4-butan-2-ylphenoxy)sulfonyl-difluoromethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;tert-butyl 2,2-dimethylbutanoate;3-cyclohexylpentan-3-yl 2,2-dimethylbutanoate;1-phenylethyl 2,2-dimethylbutanoate;triphenylsulfanium (CID 158196737) is bis(3-methoxyphenyl)-(3-methylphenyl)sulfanium;tris(4-butan-2-ylphenol);[(4-butan-2-ylphenoxy)sulfonyl-difluoromethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;tert-butyl 2,2-dimethylbutanoate;3-cyclohexylpentan-3-yl 2,2-dimethylbutanoate;1-phenylethyl 2,2-dimethylbutanoate;triphenylsulfanium.

What is the SMILES notation for bis(3-methoxyphenyl)-(3-methylphenyl)sulfanium;tris(4-butan-2-ylphenol);[(4-butan-2-ylphenoxy)sulfonyl-difluoromethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;tert-butyl 2,2-dimethylbutanoate;3-cyclohexylpentan-3-yl 2,2-dimethylbutanoate;1-phenylethyl 2,2-dimethylbutanoate;triphenylsulfanium?

The canonical SMILES for bis(3-methoxyphenyl)-(3-methylphenyl)sulfanium;tris(4-butan-2-ylphenol);[(4-butan-2-ylphenoxy)sulfonyl-difluoromethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;tert-butyl 2,2-dimethylbutanoate;3-cyclohexylpentan-3-yl 2,2-dimethylbutanoate;1-phenylethyl 2,2-dimethylbutanoate;triphenylsulfanium is CCC(C)(C)C(=O)OC(C)(C)C.CCC(C)(C)C(=O)OC(C)c1ccccc1.CCC(C)(C)C(=O)OC(CC)(CC)C1CCCCC1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(O)cc1.CCC(C)c1ccc(OS(=O)(=O)C(F)(F)C(F)(F)C(F)(F)S(=O)(=O)[O-])cc1.CCC(C)c1ccc(OS(=O)(=O)C(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F)cc1.COc1cccc([S+](c2cccc(C)c2)c2cccc(OC)c2)c1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of bis(3-methoxyphenyl)-(3-methylphenyl)sulfanium;tris(4-butan-2-ylphenol);[(4-butan-2-ylphenoxy)sulfonyl-difluoromethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;tert-butyl 2,2-dimethylbutanoate;3-cyclohexylpentan-3-yl 2,2-dimethylbutanoate;1-phenylethyl 2,2-dimethylbutanoate;triphenylsulfanium?

The InChIKey is GAKSRUXYWCNXGI-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H21O2S.C18H15S.C17H32O2.C14H20O2.C13H14F6O6S2.C12H13F5NO7S3.C10H20O2.3C10H14O/c1-16-7-4-10-19(13-16)24(20-11-5-8-17(14-20)22-2)21-12-6-9-18(15-21)23-3;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-6-16(4,5)15(18)19-17(7-2,8-3)14-12-10-9-11-13-14;1-5-14(3,4)13(15)16-11(2)12-9-7-6-8-10-12;1-3-8(2)9-4-6-10(7-5-9)25-27(23,24)13(18,19)11(14,15)12(16,17)26(20,21)22;1-3-8(2)9-4-6-10(7-5-9)25-28(23,24)12(16,17)27(21,22)18-26(19,20)11(13,14)15;1-7-10(5,6)8(11)12-9(2,3)4;3*1-3-8(2)9-4-6-10(11)7-5-9/h4-15H,1-3H3;1-15H;14H,6-13H2,1-5H3;6-11H,5H2,1-4H3;4-8H,3H2,1-2H3,(H,20,21,22);4-8H,3H2,1-2H3;7H2,1-6H3;3*4-8,11H,3H2,1-2H3/q2*+1;;;;-1;;;;/p-1.

What are the key properties of bis(3-methoxyphenyl)-(3-methylphenyl)sulfanium;tris(4-butan-2-ylphenol);[(4-butan-2-ylphenoxy)sulfonyl-difluoromethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;tert-butyl 2,2-dimethylbutanoate;3-cyclohexylpentan-3-yl 2,2-dimethylbutanoate;1-phenylethyl 2,2-dimethylbutanoate;triphenylsulfanium?

bis(3-methoxyphenyl)-(3-methylphenyl)sulfanium;tris(4-butan-2-ylphenol);[(4-butan-2-ylphenoxy)sulfonyl-difluoromethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;tert-butyl 2,2-dimethylbutanoate;3-cyclohexylpentan-3-yl 2,2-dimethylbutanoate;1-phenylethyl 2,2-dimethylbutanoate;triphenylsulfanium has a molecular weight of 2630.32 g/mol, XLogP of 36.49, 42 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for bis(3-methoxyphenyl)-(3-methylphenyl)sulfanium;tris(4-butan-2-ylphenol);[(4-butan-2-ylphenoxy)sulfonyl-difluoromethyl]sulfonyl-(trifluoromethylsulfonyl)azanide;3-(4-butan-2-ylphenoxy)sulfonyl-1,1,2,2,3,3-hexafluoropropane-1-sulfonate;tert-butyl 2,2-dimethylbutanoate;3-cyclohexylpentan-3-yl 2,2-dimethylbutanoate;1-phenylethyl 2,2-dimethylbutanoate;triphenylsulfanium is sourced from PubChem (CID 158196737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).