C202H183F69O28S14 — CID 159483013
(4-butoxyphenyl)-diphenylsulfanium;[4-(2,2-dimethylpropanoyloxy)phenyl]-diphenylsulfanium;diphenyl-(2,4,6-trimethylphenyl)sulfanium;bis(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate);[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;tris(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate);(4-octoxyphenyl)-diphenylsulfanium;2,3,4,5,6-pentafluorobenzenesulfonate;(4-pentanoyloxyphenyl)-diphenylsulfanium;trifluoromethanesulfonate;tris(4-tert-butylphenyl)sulfanium (PubChem CID 159483013) has the molecular formula C202H183F69O28S14 and a molecular weight of 4818.46 g/mol. Its IUPAC name is (4-butoxyphenyl)-diphenylsulfanium;[4-(2,2-dimethylpropanoyloxy)phenyl]-diphenylsulfanium;diphenyl-(2,4,6-trimethylphenyl)sulfanium;bis(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate);[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;tris(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate);(4-octoxyphenyl)-diphenylsulfanium;2,3,4,5,6-pentafluorobenzenesulfonate;(4-pentanoyloxyphenyl)-diphenylsulfanium;trifluoromethanesulfonate;tris(4-tert-butylphenyl)sulfanium.
| Compound Name | (4-butoxyphenyl)-diphenylsulfanium;[4-(2,2-dimethylpropanoyloxy)phenyl]-diphenylsulfanium;diphenyl-(2,4,6-trimethylphenyl)sulfanium;bis(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate);[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;tris(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate);(4-octoxyphenyl)-diphenylsulfanium;2,3,4,5,6-pentafluorobenzenesulfonate;(4-pentanoyloxyphenyl)-diphenylsulfanium;trifluoromethanesulfonate;tris(4-tert-butylphenyl)sulfanium |
|---|---|
| PubChem CID | 159483013 |
| Molecular Formula | C202H183F69O28S14 |
| Molecular Weight | 4818.46 g/mol |
| Exact Mass | 4814.79 |
| IUPAC Name | (4-butoxyphenyl)-diphenylsulfanium;[4-(2,2-dimethylpropanoyloxy)phenyl]-diphenylsulfanium;diphenyl-(2,4,6-trimethylphenyl)sulfanium;bis(1,1,2,2,3,3,4,4,5,5,6,6,7,7,8,8,8-heptadecafluorooctane-1-sulfonate);[4-[(2-methylpropan-2-yl)oxy]phenyl]-diphenylsulfanium;tris(1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfonate);(4-octoxyphenyl)-diphenylsulfanium;2,3,4,5,6-pentafluorobenzenesulfonate;(4-pentanoyloxyphenyl)-diphenylsulfanium;trifluoromethanesulfonate;tris(4-tert-butylphenyl)sulfanium |
| SMILES | CC(C)(C)C(=O)Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(C)(C)Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(C)(C)c1ccc([S+](c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc1.CCCCC(=O)Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CCCCCCCCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CCCCOc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cc1cc(C)c([S+](c2ccccc2)c2ccccc2)c(C)c1.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)([O-])C(F)(F)C(F)(F)C(F)(F)C(F)(F)F.O=S(=O)([O-])C(F)(F)F.O=S(=O)([O-])c1c(F)c(F)c(F)c(F)c1F |
| InChI | InChI=1S/C30H39S.C26H31OS.2C23H23O2S.2C22H23OS.C21H21S.2C8HF17O3S.C6HF5O3S.3C4HF9O3S.CHF3O3S/c1-28(2,3)22-10-16-25(17-11-22)31(26-18-12-23(13-19-26)29(4,5)6)27-20-14-24(15-21-27)30(7,8)9;1-2-3-4-5-6-13-22-27-23-18-20-26(21-19-23)28(24-14-9-7-10-15-24)25-16-11-8-12-17-25;1-23(2,3)22(24)25-18-14-16-21(17-15-18)26(19-10-6-4-7-11-19)20-12-8-5-9-13-20;1-2-3-14-23(24)25-19-15-17-22(18-16-19)26(20-10-6-4-7-11-20)21-12-8-5-9-13-21;1-22(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;1-2-3-18-23-19-14-16-22(17-15-19)24(20-10-6-4-7-11-20)21-12-8-5-9-13-21;1-16-14-17(2)21(18(3)15-16)22(19-10-6-4-7-11-19)20-12-8-5-9-13-20;2*9-1(10,3(13,14)5(17,18)7(21,22)23)2(11,12)4(15,16)6(19,20)8(24,25)29(26,27)28;7-1-2(8)4(10)6(15(12,13)14)5(11)3(1)9;3*5-1(6,3(9,10)11)2(7,8)4(12,13)17(14,15)16;2-1(3,4)8(5,6)7/h10-21H,1-9H3;7-12,14-21H,2-6,13,22H2,1H3;4-17H,1-3H3;4-13,15-18H,2-3,14H2,1H3;4-17H,1-3H3;4-17H,2-3,18H2,1H3;4-15H,1-3H3;2*(H,26,27,28);(H,12,13,14);3*(H,14,15,16);(H,5,6,7)/q7*+1;;;;;;;/p-7 |
| InChIKey | LXFUKSLGSLJETN-UHFFFAOYSA-G |
| XLogP | 61.64 |
| TPSA | 480.69 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 28 |
| Rotatable Bonds | 63 |
| Heavy Atoms | 313 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 4818.46 |
| LogP ≤ 5 | 61.64 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 28 |