2-(1-adamantyl)-1,1-difluoroethanesulfonate;bis(4-methoxyphenyl)-phenylsulfanium;(4-cyclohexylphenyl)-diphenylsulfanium;2-(2,2-difluoropropyl)bicyclo[2.2.1]heptane;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;(4-methylphenyl)-diphenylsulfanium;1,1,1,3,3-pentafluorobutan-2-yl adamantane-1-carboxylate;tris(4-methylphenyl)sulfanium

C134H153F15NO9S6+3 — CID 162251375

About 2-(1-adamantyl)-1,1-difluoroethanesulfonate;bis(4-methoxyphenyl)-phenylsulfanium;(4-cyclohexylphenyl)-diphenylsulfanium;2-(2,2-difluoropropyl)bicyclo[2.2.1]heptane;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;(4-methylphenyl)-diphenylsulfanium;1,1,1,3,3-pentafluorobutan-2-yl adamantane-1-carboxylate;tris(4-methylphenyl)sulfanium

2-(1-adamantyl)-1,1-difluoroethanesulfonate;bis(4-methoxyphenyl)-phenylsulfanium;(4-cyclohexylphenyl)-diphenylsulfanium;2-(2,2-difluoropropyl)bicyclo[2.2.1]heptane;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;(4-methylphenyl)-diphenylsulfanium;1,1,1,3,3-pentafluorobutan-2-yl adamantane-1-carboxylate;tris(4-methylphenyl)sulfanium (PubChem CID 162251375) has the molecular formula C134H153F15NO9S6+3 and a molecular weight of 2399.07 g/mol. Its IUPAC name is 2-(1-adamantyl)-1,1-difluoroethanesulfonate;bis(4-methoxyphenyl)-phenylsulfanium;(4-cyclohexylphenyl)-diphenylsulfanium;2-(2,2-difluoropropyl)bicyclo[2.2.1]heptane;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;(4-methylphenyl)-diphenylsulfanium;1,1,1,3,3-pentafluorobutan-2-yl adamantane-1-carboxylate;tris(4-methylphenyl)sulfanium.

Molecular Properties

• Compound Name: 2-(1-adamantyl)-1,1-difluoroethanesulfonate;bis(4-methoxyphenyl)-phenylsulfanium;(4-cyclohexylphenyl)-diphenylsulfanium;2-(2,2-difluoropropyl)bicyclo[2.2.1]heptane;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;(4-methylphenyl)-diphenylsulfanium;1,1,1,3,3-pentafluorobutan-2-yl adamantane-1-carboxylate;tris(4-methylphenyl)sulfanium
• PubChem CID: 162251375
• Molecular Formula: C134H153F15NO9S6+3
• Molecular Weight: 2399.07 g/mol
• Exact Mass: 2396.96
• IUPAC Name: 2-(1-adamantyl)-1,1-difluoroethanesulfonate;bis(4-methoxyphenyl)-phenylsulfanium;(4-cyclohexylphenyl)-diphenylsulfanium;2-(2,2-difluoropropyl)bicyclo[2.2.1]heptane;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;(4-methylphenyl)-diphenylsulfanium;1,1,1,3,3-pentafluorobutan-2-yl adamantane-1-carboxylate;tris(4-methylphenyl)sulfanium
• SMILES: CC(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCC2CCCCC2C1.CC(F)(F)C(OC(=O)C12CC3CC(CC(C3)C1)C2)C(F)(F)F.CC(F)(F)CC1CC2CCC1C2.COc1ccc([S+](c2ccccc2)c2ccc(OC)cc2)cc1.Cc1ccc([S+](c2ccc(C)cc2)c2ccc(C)cc2)cc1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=S(=O)([O-])C(F)(F)CC12CC3CC(CC(C3)C1)C2.c1ccc([S+](c2ccccc2)c2ccc(C3CCCCC3)cc2)cc1
• InChI: InChI=1S/C24H25S.C21H21S.C20H19O2S.C19H17S.C15H19F5O2.C13H19F6NO2S.C12H18F2O3S.C10H16F2/c1-4-10-20(11-5-1)21-16-18-24(19-17-21)25(22-12-6-2-7-13-22)23-14-8-3-9-15-23;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;1-21-16-8-12-19(13-9-16)23(18-6-4-3-5-7-18)20-14-10-17(22-2)11-15-20;1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;1-13(16,17)11(15(18,19)20)22-12(21)14-5-8-2-9(6-14)4-10(3-8)7-14;1-11(14,15)12(16,17)13(18,19)23(21,22)20-7-6-9-4-2-3-5-10(9)8-20;13-12(14,18(15,16)17)7-11-4-8-1-9(5-11)3-10(2-8)6-11;1-10(11,12)6-9-5-7-2-3-8(9)4-7/h2-3,6-9,12-20H,1,4-5,10-11H2;4-15H,1-3H3;3-15H,1-2H3;2-15H,1H3;8-11H,2-7H2,1H3;9-10H,2-8H2,1H3;8-10H,1-7H2,(H,15,16,17);7-9H,2-6H2,1H3/q4*+1;;;;/p-1
• InChIKey: ZYAPLYXJFLYWPF-UHFFFAOYSA-M
• XLogP: 36.67
• TPSA: 139.34 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 27
• Heavy Atoms: 165
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	2399.07
LogP ≤ 5	36.67
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-(1-adamantyl)-1,1-difluoroethanesulfonate;bis(4-methoxyphenyl)-phenylsulfanium;(4-cyclohexylphenyl)-diphenylsulfanium;2-(2,2-difluoropropyl)bicyclo[2.2.1]heptane;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;(4-methylphenyl)-diphenylsulfanium;1,1,1,3,3-pentafluorobutan-2-yl adamantane-1-carboxylate;tris(4-methylphenyl)sulfanium?

The IUPAC name of 2-(1-adamantyl)-1,1-difluoroethanesulfonate;bis(4-methoxyphenyl)-phenylsulfanium;(4-cyclohexylphenyl)-diphenylsulfanium;2-(2,2-difluoropropyl)bicyclo[2.2.1]heptane;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;(4-methylphenyl)-diphenylsulfanium;1,1,1,3,3-pentafluorobutan-2-yl adamantane-1-carboxylate;tris(4-methylphenyl)sulfanium (CID 162251375) is 2-(1-adamantyl)-1,1-difluoroethanesulfonate;bis(4-methoxyphenyl)-phenylsulfanium;(4-cyclohexylphenyl)-diphenylsulfanium;2-(2,2-difluoropropyl)bicyclo[2.2.1]heptane;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;(4-methylphenyl)-diphenylsulfanium;1,1,1,3,3-pentafluorobutan-2-yl adamantane-1-carboxylate;tris(4-methylphenyl)sulfanium.

What is the SMILES notation for 2-(1-adamantyl)-1,1-difluoroethanesulfonate;bis(4-methoxyphenyl)-phenylsulfanium;(4-cyclohexylphenyl)-diphenylsulfanium;2-(2,2-difluoropropyl)bicyclo[2.2.1]heptane;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;(4-methylphenyl)-diphenylsulfanium;1,1,1,3,3-pentafluorobutan-2-yl adamantane-1-carboxylate;tris(4-methylphenyl)sulfanium?

The canonical SMILES for 2-(1-adamantyl)-1,1-difluoroethanesulfonate;bis(4-methoxyphenyl)-phenylsulfanium;(4-cyclohexylphenyl)-diphenylsulfanium;2-(2,2-difluoropropyl)bicyclo[2.2.1]heptane;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;(4-methylphenyl)-diphenylsulfanium;1,1,1,3,3-pentafluorobutan-2-yl adamantane-1-carboxylate;tris(4-methylphenyl)sulfanium is CC(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCC2CCCCC2C1.CC(F)(F)C(OC(=O)C12CC3CC(CC(C3)C1)C2)C(F)(F)F.CC(F)(F)CC1CC2CCC1C2.COc1ccc([S+](c2ccccc2)c2ccc(OC)cc2)cc1.Cc1ccc([S+](c2ccc(C)cc2)c2ccc(C)cc2)cc1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.O=S(=O)([O-])C(F)(F)CC12CC3CC(CC(C3)C1)C2.c1ccc([S+](c2ccccc2)c2ccc(C3CCCCC3)cc2)cc1.

What is the InChIKey of 2-(1-adamantyl)-1,1-difluoroethanesulfonate;bis(4-methoxyphenyl)-phenylsulfanium;(4-cyclohexylphenyl)-diphenylsulfanium;2-(2,2-difluoropropyl)bicyclo[2.2.1]heptane;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;(4-methylphenyl)-diphenylsulfanium;1,1,1,3,3-pentafluorobutan-2-yl adamantane-1-carboxylate;tris(4-methylphenyl)sulfanium?

The InChIKey is ZYAPLYXJFLYWPF-UHFFFAOYSA-M. The full InChI is InChI=1S/C24H25S.C21H21S.C20H19O2S.C19H17S.C15H19F5O2.C13H19F6NO2S.C12H18F2O3S.C10H16F2/c1-4-10-20(11-5-1)21-16-18-24(19-17-21)25(22-12-6-2-7-13-22)23-14-8-3-9-15-23;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;1-21-16-8-12-19(13-9-16)23(18-6-4-3-5-7-18)20-14-10-17(22-2)11-15-20;1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;1-13(16,17)11(15(18,19)20)22-12(21)14-5-8-2-9(6-14)4-10(3-8)7-14;1-11(14,15)12(16,17)13(18,19)23(21,22)20-7-6-9-4-2-3-5-10(9)8-20;13-12(14,18(15,16)17)7-11-4-8-1-9(5-11)3-10(2-8)6-11;1-10(11,12)6-9-5-7-2-3-8(9)4-7/h2-3,6-9,12-20H,1,4-5,10-11H2;4-15H,1-3H3;3-15H,1-2H3;2-15H,1H3;8-11H,2-7H2,1H3;9-10H,2-8H2,1H3;8-10H,1-7H2,(H,15,16,17);7-9H,2-6H2,1H3/q4*+1;;;;/p-1.

What are the key properties of 2-(1-adamantyl)-1,1-difluoroethanesulfonate;bis(4-methoxyphenyl)-phenylsulfanium;(4-cyclohexylphenyl)-diphenylsulfanium;2-(2,2-difluoropropyl)bicyclo[2.2.1]heptane;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;(4-methylphenyl)-diphenylsulfanium;1,1,1,3,3-pentafluorobutan-2-yl adamantane-1-carboxylate;tris(4-methylphenyl)sulfanium?

2-(1-adamantyl)-1,1-difluoroethanesulfonate;bis(4-methoxyphenyl)-phenylsulfanium;(4-cyclohexylphenyl)-diphenylsulfanium;2-(2,2-difluoropropyl)bicyclo[2.2.1]heptane;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;(4-methylphenyl)-diphenylsulfanium;1,1,1,3,3-pentafluorobutan-2-yl adamantane-1-carboxylate;tris(4-methylphenyl)sulfanium has a molecular weight of 2399.07 g/mol, XLogP of 36.67, 27 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1-adamantyl)-1,1-difluoroethanesulfonate;bis(4-methoxyphenyl)-phenylsulfanium;(4-cyclohexylphenyl)-diphenylsulfanium;2-(2,2-difluoropropyl)bicyclo[2.2.1]heptane;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;(4-methylphenyl)-diphenylsulfanium;1,1,1,3,3-pentafluorobutan-2-yl adamantane-1-carboxylate;tris(4-methylphenyl)sulfanium is sourced from PubChem (CID 162251375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).