C233H232O31S11+10 — CID 160736418
(4-acetyloxyphenyl)-diphenylsulfanium;bis(4-hydroxyphenyl)-phenylsulfanium;bis(4-methoxyphenyl)-(4-methylphenyl)sulfanium;(4-cyclohexylphenyl)-diphenylsulfanium;diphenyl-(4-phenylsulfanylphenyl)sulfanium;(4-hydroxyphenyl)-diphenylsulfanium;tris(4-hydroxyphenyl)sulfanium;tris(4-methoxyphenyl)sulfanium;tris[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]sulfanium;tris[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]sulfanium (PubChem CID 160736418) has the molecular formula C233H232O31S11+10 and a molecular weight of 3881.12 g/mol. Its IUPAC name is (4-acetyloxyphenyl)-diphenylsulfanium;bis(4-hydroxyphenyl)-phenylsulfanium;bis(4-methoxyphenyl)-(4-methylphenyl)sulfanium;(4-cyclohexylphenyl)-diphenylsulfanium;diphenyl-(4-phenylsulfanylphenyl)sulfanium;(4-hydroxyphenyl)-diphenylsulfanium;tris(4-hydroxyphenyl)sulfanium;tris(4-methoxyphenyl)sulfanium;tris[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]sulfanium;tris[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]sulfanium.
| Compound Name | (4-acetyloxyphenyl)-diphenylsulfanium;bis(4-hydroxyphenyl)-phenylsulfanium;bis(4-methoxyphenyl)-(4-methylphenyl)sulfanium;(4-cyclohexylphenyl)-diphenylsulfanium;diphenyl-(4-phenylsulfanylphenyl)sulfanium;(4-hydroxyphenyl)-diphenylsulfanium;tris(4-hydroxyphenyl)sulfanium;tris(4-methoxyphenyl)sulfanium;tris[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]sulfanium;tris[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]sulfanium |
|---|---|
| PubChem CID | 160736418 |
| Molecular Formula | C233H232O31S11+10 |
| Molecular Weight | 3881.12 g/mol |
| Exact Mass | 3877.35 |
| IUPAC Name | (4-acetyloxyphenyl)-diphenylsulfanium;bis(4-hydroxyphenyl)-phenylsulfanium;bis(4-methoxyphenyl)-(4-methylphenyl)sulfanium;(4-cyclohexylphenyl)-diphenylsulfanium;diphenyl-(4-phenylsulfanylphenyl)sulfanium;(4-hydroxyphenyl)-diphenylsulfanium;tris(4-hydroxyphenyl)sulfanium;tris(4-methoxyphenyl)sulfanium;tris[4-[(2-methylpropan-2-yl)oxycarbonyloxy]phenyl]sulfanium;tris[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethoxy]phenyl]sulfanium |
| SMILES | CC(=O)Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.CC(C)(C)OC(=O)COc1ccc([S+](c2ccc(OCC(=O)OC(C)(C)C)cc2)c2ccc(OCC(=O)OC(C)(C)C)cc2)cc1.CC(C)(C)OC(=O)Oc1ccc([S+](c2ccc(OC(=O)OC(C)(C)C)cc2)c2ccc(OC(=O)OC(C)(C)C)cc2)cc1.COc1ccc([S+](c2ccc(C)cc2)c2ccc(OC)cc2)cc1.COc1ccc([S+](c2ccc(OC)cc2)c2ccc(OC)cc2)cc1.Oc1ccc([S+](c2ccc(O)cc2)c2ccc(O)cc2)cc1.Oc1ccc([S+](c2ccccc2)c2ccc(O)cc2)cc1.Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc(Sc2ccc([S+](c3ccccc3)c3ccccc3)cc2)cc1.c1ccc([S+](c2ccccc2)c2ccc(C3CCCCC3)cc2)cc1 |
| InChI | InChI=1S/C36H45O9S.C33H39O9S.C24H19S2.C24H25S.C21H21O3S.C21H21O2S.C20H17O2S.C18H14O3S.C18H14O2S.C18H14OS/c1-34(2,3)43-31(37)22-40-25-10-16-28(17-11-25)46(29-18-12-26(13-19-29)41-23-32(38)44-35(4,5)6)30-20-14-27(15-21-30)42-24-33(39)45-36(7,8)9;1-31(2,3)40-28(34)37-22-10-16-25(17-11-22)43(26-18-12-23(13-19-26)38-29(35)41-32(4,5)6)27-20-14-24(15-21-27)39-30(36)42-33(7,8)9;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;1-22-16-4-10-19(11-5-16)25(20-12-6-17(23-2)7-13-20)21-14-8-18(24-3)9-15-21;1-16-4-10-19(11-5-16)24(20-12-6-17(22-2)7-13-20)21-14-8-18(23-3)9-15-21;1-16(21)22-17-12-14-20(15-13-17)23(18-8-4-2-5-9-18)19-10-6-3-7-11-19;19-13-1-7-16(8-2-13)22(17-9-3-14(20)4-10-17)18-11-5-15(21)6-12-18;19-14-6-10-17(11-7-14)21(16-4-2-1-3-5-16)18-12-8-15(20)9-13-18;19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h10-21H,22-24H2,1-9H3;10-21H,1-9H3;1-19H;2-3,6-9,12-20H,1,4-5,10-11H2;4-15H,1-3H3;4-15H,1-3H3;2-15H,1H3;1-12H,(H2-,19,20,21);1-13H,(H-,19,20);1-14H/q7*+1;;;/p+3 |
| InChIKey | RUZWSDVEKHDVPS-UHFFFAOYSA-Q |
| XLogP | 56.63 |
| TPSA | 407.01 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 32 |
| Rotatable Bonds | 51 |
| Heavy Atoms | 275 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3881.12 |
| LogP ≤ 5 | 56.63 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 32 |
| Structural Alerts | {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}, {'alert_name': 'phenyl_carbonate', 'substructure': 'N/A'} |
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