C244H249Cl2F42IO41S20 — CID 159635253
bis(4-tert-butylphenyl)-phenylsulfanium;bis(4-chlorophenyl)-phenylsulfanium;(4-tert-butylphenyl)-diphenylsulfanium;(4-tert-butylphenyl)iodanium;(4-cyclohexylphenyl)-diphenylsulfanium;diphenyl-(4-phenylsulfanylphenyl)sulfanium;2-(1,1,2,3,3,3-hexafluoro-2-oxidoperoxysulfanylpropoxy)-2-methylpropane;(4-methoxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;nonakis(1,1,2,2-tetrafluoro-2-methoxyethanesulfonate);triphenylsulfanium;tris(4-tert-butylphenyl)sulfanium (PubChem CID 159635253) has the molecular formula C244H249Cl2F42IO41S20 and a molecular weight of 5474.70 g/mol. Its IUPAC name is bis(4-tert-butylphenyl)-phenylsulfanium;bis(4-chlorophenyl)-phenylsulfanium;(4-tert-butylphenyl)-diphenylsulfanium;(4-tert-butylphenyl)iodanium;(4-cyclohexylphenyl)-diphenylsulfanium;diphenyl-(4-phenylsulfanylphenyl)sulfanium;2-(1,1,2,3,3,3-hexafluoro-2-oxidoperoxysulfanylpropoxy)-2-methylpropane;(4-methoxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;nonakis(1,1,2,2-tetrafluoro-2-methoxyethanesulfonate);triphenylsulfanium;tris(4-tert-butylphenyl)sulfanium.
| Compound Name | bis(4-tert-butylphenyl)-phenylsulfanium;bis(4-chlorophenyl)-phenylsulfanium;(4-tert-butylphenyl)-diphenylsulfanium;(4-tert-butylphenyl)iodanium;(4-cyclohexylphenyl)-diphenylsulfanium;diphenyl-(4-phenylsulfanylphenyl)sulfanium;2-(1,1,2,3,3,3-hexafluoro-2-oxidoperoxysulfanylpropoxy)-2-methylpropane;(4-methoxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;nonakis(1,1,2,2-tetrafluoro-2-methoxyethanesulfonate);triphenylsulfanium;tris(4-tert-butylphenyl)sulfanium |
|---|---|
| PubChem CID | 159635253 |
| Molecular Formula | C244H249Cl2F42IO41S20 |
| Molecular Weight | 5474.70 g/mol |
| Exact Mass | 5468.96 |
| IUPAC Name | bis(4-tert-butylphenyl)-phenylsulfanium;bis(4-chlorophenyl)-phenylsulfanium;(4-tert-butylphenyl)-diphenylsulfanium;(4-tert-butylphenyl)iodanium;(4-cyclohexylphenyl)-diphenylsulfanium;diphenyl-(4-phenylsulfanylphenyl)sulfanium;2-(1,1,2,3,3,3-hexafluoro-2-oxidoperoxysulfanylpropoxy)-2-methylpropane;(4-methoxyphenyl)-diphenylsulfanium;(4-methylphenyl)-diphenylsulfanium;nonakis(1,1,2,2-tetrafluoro-2-methoxyethanesulfonate);triphenylsulfanium;tris(4-tert-butylphenyl)sulfanium |
| SMILES | CC(C)(C)OC(F)(F)C(F)(SOO[O-])C(F)(F)F.CC(C)(C)c1ccc([IH+])cc1.CC(C)(C)c1ccc([S+](c2ccc(C(C)(C)C)cc2)c2ccc(C(C)(C)C)cc2)cc1.CC(C)(C)c1ccc([S+](c2ccccc2)c2ccc(C(C)(C)C)cc2)cc1.CC(C)(C)c1ccc([S+](c2ccccc2)c2ccccc2)cc1.COC(F)(F)C(F)(F)S(=O)(=O)[O-].COC(F)(F)C(F)(F)S(=O)(=O)[O-].COC(F)(F)C(F)(F)S(=O)(=O)[O-].COC(F)(F)C(F)(F)S(=O)(=O)[O-].COC(F)(F)C(F)(F)S(=O)(=O)[O-].COC(F)(F)C(F)(F)S(=O)(=O)[O-].COC(F)(F)C(F)(F)S(=O)(=O)[O-].COC(F)(F)C(F)(F)S(=O)(=O)[O-].COC(F)(F)C(F)(F)S(=O)(=O)[O-].COc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Clc1ccc([S+](c2ccccc2)c2ccc(Cl)cc2)cc1.c1ccc(Sc2ccc([S+](c3ccccc3)c3ccccc3)cc2)cc1.c1ccc([S+](c2ccccc2)c2ccc(C3CCCCC3)cc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1 |
| InChI | InChI=1S/C30H39S.C26H31S.C24H19S2.C24H25S.C22H23S.C19H17OS.C19H17S.C18H13Cl2S.C18H15S.C10H14I.C7H10F6O4S.9C3H4F4O4S/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;1-25(2,3)20-12-16-23(17-13-20)27(22-10-8-7-9-11-22)24-18-14-21(15-19-24)26(4,5)6;1-4-10-20(11-5-1)25-21-16-18-24(19-17-21)26(22-12-6-2-7-13-22)23-14-8-3-9-15-23;1-4-10-20(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;1-22(2,3)18-14-16-21(17-15-18)23(19-10-6-4-7-11-19)20-12-8-5-9-13-20;1-20-16-12-14-19(15-13-16)21(17-8-4-2-5-9-17)18-10-6-3-7-11-18;1-16-12-14-19(15-13-16)20(17-8-4-2-5-9-17)18-10-6-3-7-11-18;19-14-6-10-17(11-7-14)21(16-4-2-1-3-5-16)18-12-8-15(20)9-13-18;1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-10(2,3)8-4-6-9(11)7-5-8;1-4(2,3)15-7(12,13)5(8,6(9,10)11)18-17-16-14;9*1-11-2(4,5)3(6,7)12(8,9)10/h10-21H,1-9H3;7-19H,1-6H3;1-19H;2-3,6-9,12-20H,1,4-5,10-11H2;4-17H,1-3H3;2-15H,1H3;2-15H,1H3;1-13H;1-15H;4-7,11H,1-3H3;14H,1-3H3;9*1H3,(H,8,9,10)/q10*+1;;;;;;;;;;/p-10 |
| InChIKey | MPQRAWBWJQZGAL-UHFFFAOYSA-D |
| XLogP | 61.85 |
| TPSA | 657.85 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 43 |
| Rotatable Bonds | 63 |
| Heavy Atoms | 350 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 5474.70 |
| LogP ≤ 5 | 61.85 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 43 |