1-(4-tert-butylphenyl)thiolan-1-ium;3,3-dimethyl-1-(4-pentoxyphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one;4-[(4R)-4-[(8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1-[2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)ethyl]adamantane;(2,4,6-tricyclohexylphenyl) 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;bis(triphenylsulfanium)

C156H200F22NO17S8+3 — CID 159985705

About 1-(4-tert-butylphenyl)thiolan-1-ium;3,3-dimethyl-1-(4-pentoxyphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one;4-[(4R)-4-[(8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1-[2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)ethyl]adamantane;(2,4,6-tricyclohexylphenyl) 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;bis(triphenylsulfanium)

1-(4-tert-butylphenyl)thiolan-1-ium;3,3-dimethyl-1-(4-pentoxyphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one;4-[(4R)-4-[(8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1-[2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)ethyl]adamantane;(2,4,6-tricyclohexylphenyl) 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;bis(triphenylsulfanium) (PubChem CID 159985705) has the molecular formula C156H200F22NO17S8+3 and a molecular weight of 3035.80 g/mol. Its IUPAC name is 1-(4-tert-butylphenyl)thiolan-1-ium;3,3-dimethyl-1-(4-pentoxyphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one;4-[(4R)-4-[(8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1-[2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)ethyl]adamantane;(2,4,6-tricyclohexylphenyl) 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;bis(triphenylsulfanium).

Molecular Properties

• Compound Name: 1-(4-tert-butylphenyl)thiolan-1-ium;3,3-dimethyl-1-(4-pentoxyphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one;4-[(4R)-4-[(8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1-[2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)ethyl]adamantane;(2,4,6-tricyclohexylphenyl) 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;bis(triphenylsulfanium)
• PubChem CID: 159985705
• Molecular Formula: C156H200F22NO17S8+3
• Molecular Weight: 3035.80 g/mol
• Exact Mass: 3033.22
• IUPAC Name: 1-(4-tert-butylphenyl)thiolan-1-ium;3,3-dimethyl-1-(4-pentoxyphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one;4-[(4R)-4-[(8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1-[2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)ethyl]adamantane;(2,4,6-tricyclohexylphenyl) 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;bis(triphenylsulfanium)
• SMILES: CC(C)(C)c1ccc([S+]2CCCC2)cc1.CC(F)(F)C(F)(F)C(F)(F)S(=O)(=O)CCC12CC3CC(CC(C3)C1)C2.CC(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCC2CCCCC2C1.CC(F)(F)C(F)(F)C(F)(F)S(=O)(=O)Oc1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.CCCCCOc1ccc(C(=O)C([S+]2CCCC2)C(C)(C)C)cc1.C[C@H](CCC(=O)OCCC(F)(F)C(F)(F)S(=O)(=O)[O-])[C@H]1CC[C@H]2[C@@H]3C(=O)CC4CC(=O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1
• InChI: InChI=1S/C28H38F6O3S.C28H38F4O8S.C21H33O2S.2C18H15S.C16H22F6O2S.C14H21S.C13H19F6NO2S/c1-26(29,30)27(31,32)28(33,34)38(35,36)37-25-23(20-13-7-3-8-14-20)17-22(19-11-5-2-6-12-19)18-24(25)21-15-9-4-10-16-21;1-15(4-7-23(36)40-11-10-27(29,30)28(31,32)41(37,38)39)18-5-6-19-24-20(14-22(35)26(18,19)3)25(2)9-8-17(33)12-16(25)13-21(24)34;1-5-6-7-14-23-18-12-10-17(11-13-18)19(22)20(21(2,3)4)24-15-8-9-16-24;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-13(17,18)15(19,20)16(21,22)25(23,24)3-2-14-7-10-4-11(8-14)6-12(5-10)9-14;1-14(2,3)12-6-8-13(9-7-12)15-10-4-5-11-15;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/h17-21H,2-16H2,1H3;15-16,18-20,24H,4-14H2,1-3H3,(H,37,38,39);10-13,20H,5-9,14-16H2,1-4H3;2*1-15H;10-12H,2-9H2,1H3;6-9H,4-5,10-11H2,1-3H3;9-10H,2-8H2,1H3/q;;3*+1;;+1;/p-1/t;15-,16?,18-,19+,20+,24+,25+,26-;;;;;;/m.1....../s1
• InChIKey: OGHRYEMWQQDSGS-QZNMWYPOSA-M
• XLogP: 41.30
• TPSA: 275.90 Ų
• H-Bond Acceptors: 17
• Rotatable Bonds: 42
• Heavy Atoms: 204
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3035.80
LogP ≤ 5	41.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	17

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', '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 1-(4-tert-butylphenyl)thiolan-1-ium;3,3-dimethyl-1-(4-pentoxyphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one;4-[(4R)-4-[(8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1-[2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)ethyl]adamantane;(2,4,6-tricyclohexylphenyl) 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;bis(triphenylsulfanium)?

The IUPAC name of 1-(4-tert-butylphenyl)thiolan-1-ium;3,3-dimethyl-1-(4-pentoxyphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one;4-[(4R)-4-[(8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1-[2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)ethyl]adamantane;(2,4,6-tricyclohexylphenyl) 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;bis(triphenylsulfanium) (CID 159985705) is 1-(4-tert-butylphenyl)thiolan-1-ium;3,3-dimethyl-1-(4-pentoxyphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one;4-[(4R)-4-[(8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1-[2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)ethyl]adamantane;(2,4,6-tricyclohexylphenyl) 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;bis(triphenylsulfanium).

What is the SMILES notation for 1-(4-tert-butylphenyl)thiolan-1-ium;3,3-dimethyl-1-(4-pentoxyphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one;4-[(4R)-4-[(8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1-[2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)ethyl]adamantane;(2,4,6-tricyclohexylphenyl) 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;bis(triphenylsulfanium)?

The canonical SMILES for 1-(4-tert-butylphenyl)thiolan-1-ium;3,3-dimethyl-1-(4-pentoxyphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one;4-[(4R)-4-[(8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1-[2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)ethyl]adamantane;(2,4,6-tricyclohexylphenyl) 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;bis(triphenylsulfanium) is CC(C)(C)c1ccc([S+]2CCCC2)cc1.CC(F)(F)C(F)(F)C(F)(F)S(=O)(=O)CCC12CC3CC(CC(C3)C1)C2.CC(F)(F)C(F)(F)C(F)(F)S(=O)(=O)N1CCC2CCCCC2C1.CC(F)(F)C(F)(F)C(F)(F)S(=O)(=O)Oc1c(C2CCCCC2)cc(C2CCCCC2)cc1C1CCCCC1.CCCCCOc1ccc(C(=O)C([S+]2CCCC2)C(C)(C)C)cc1.C[C@H](CCC(=O)OCCC(F)(F)C(F)(F)S(=O)(=O)[O-])[C@H]1CC[C@H]2[C@@H]3C(=O)CC4CC(=O)CC[C@]4(C)[C@H]3CC(=O)[C@]12C.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.

What is the InChIKey of 1-(4-tert-butylphenyl)thiolan-1-ium;3,3-dimethyl-1-(4-pentoxyphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one;4-[(4R)-4-[(8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1-[2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)ethyl]adamantane;(2,4,6-tricyclohexylphenyl) 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;bis(triphenylsulfanium)?

The InChIKey is OGHRYEMWQQDSGS-QZNMWYPOSA-M. The full InChI is InChI=1S/C28H38F6O3S.C28H38F4O8S.C21H33O2S.2C18H15S.C16H22F6O2S.C14H21S.C13H19F6NO2S/c1-26(29,30)27(31,32)28(33,34)38(35,36)37-25-23(20-13-7-3-8-14-20)17-22(19-11-5-2-6-12-19)18-24(25)21-15-9-4-10-16-21;1-15(4-7-23(36)40-11-10-27(29,30)28(31,32)41(37,38)39)18-5-6-19-24-20(14-22(35)26(18,19)3)25(2)9-8-17(33)12-16(25)13-21(24)34;1-5-6-7-14-23-18-12-10-17(11-13-18)19(22)20(21(2,3)4)24-15-8-9-16-24;2*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-13(17,18)15(19,20)16(21,22)25(23,24)3-2-14-7-10-4-11(8-14)6-12(5-10)9-14;1-14(2,3)12-6-8-13(9-7-12)15-10-4-5-11-15;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/h17-21H,2-16H2,1H3;15-16,18-20,24H,4-14H2,1-3H3,(H,37,38,39);10-13,20H,5-9,14-16H2,1-4H3;2*1-15H;10-12H,2-9H2,1H3;6-9H,4-5,10-11H2,1-3H3;9-10H,2-8H2,1H3/q;;3*+1;;+1;/p-1/t;15-,16?,18-,19+,20+,24+,25+,26-;;;;;;/m.1....../s1.

What are the key properties of 1-(4-tert-butylphenyl)thiolan-1-ium;3,3-dimethyl-1-(4-pentoxyphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one;4-[(4R)-4-[(8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1-[2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)ethyl]adamantane;(2,4,6-tricyclohexylphenyl) 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;bis(triphenylsulfanium)?

1-(4-tert-butylphenyl)thiolan-1-ium;3,3-dimethyl-1-(4-pentoxyphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one;4-[(4R)-4-[(8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1-[2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)ethyl]adamantane;(2,4,6-tricyclohexylphenyl) 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;bis(triphenylsulfanium) has a molecular weight of 3035.80 g/mol, XLogP of 41.30, 42 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-tert-butylphenyl)thiolan-1-ium;3,3-dimethyl-1-(4-pentoxyphenyl)-2-(thiolan-1-ium-1-yl)butan-1-one;4-[(4R)-4-[(8R,9S,10S,13R,14S,17R)-10,13-dimethyl-3,7,12-trioxo-1,2,4,5,6,8,9,11,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-17-yl]pentanoyl]oxy-1,1,2,2-tetrafluorobutane-1-sulfonate;2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline;1-[2-(1,1,2,2,3,3-hexafluorobutylsulfonyl)ethyl]adamantane;(2,4,6-tricyclohexylphenyl) 1,1,2,2,3,3-hexafluorobutane-1-sulfonate;bis(triphenylsulfanium) is sourced from PubChem (CID 159985705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).