C128H79F23O10S8+6 — CID 167711171
[4-[2-(3,5-difluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;2,8-difluoro-5-[4-(trifluoromethyl)phenyl]dibenzothiophen-5-ium;3,7-difluoro-10-[4-(trifluoromethyl)phenyl]phenoxathiin-10-ium;3,7-difluoro-10-[4-(trifluoromethyl)phenyl]thianthren-10-ium 5,5-dioxide;3,7-difluoro-10-[4-(trifluoromethyl)phenyl]thianthren-10-ium 5-oxide;[4-[2-(4-fluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium (PubChem CID 167711171) has the molecular formula C128H79F23O10S8+6 and a molecular weight of 2470.52 g/mol. Its IUPAC name is [4-[2-(3,5-difluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;2,8-difluoro-5-[4-(trifluoromethyl)phenyl]dibenzothiophen-5-ium;3,7-difluoro-10-[4-(trifluoromethyl)phenyl]phenoxathiin-10-ium;3,7-difluoro-10-[4-(trifluoromethyl)phenyl]thianthren-10-ium 5,5-dioxide;3,7-difluoro-10-[4-(trifluoromethyl)phenyl]thianthren-10-ium 5-oxide;[4-[2-(4-fluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium.
| Compound Name | [4-[2-(3,5-difluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;2,8-difluoro-5-[4-(trifluoromethyl)phenyl]dibenzothiophen-5-ium;3,7-difluoro-10-[4-(trifluoromethyl)phenyl]phenoxathiin-10-ium;3,7-difluoro-10-[4-(trifluoromethyl)phenyl]thianthren-10-ium 5,5-dioxide;3,7-difluoro-10-[4-(trifluoromethyl)phenyl]thianthren-10-ium 5-oxide;[4-[2-(4-fluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium |
|---|---|
| PubChem CID | 167711171 |
| Molecular Formula | C128H79F23O10S8+6 |
| Molecular Weight | 2470.52 g/mol |
| Exact Mass | 2468.30 |
| IUPAC Name | [4-[2-(3,5-difluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium;2,8-difluoro-5-[4-(trifluoromethyl)phenyl]dibenzothiophen-5-ium;3,7-difluoro-10-[4-(trifluoromethyl)phenyl]phenoxathiin-10-ium;3,7-difluoro-10-[4-(trifluoromethyl)phenyl]thianthren-10-ium 5,5-dioxide;3,7-difluoro-10-[4-(trifluoromethyl)phenyl]thianthren-10-ium 5-oxide;[4-[2-(4-fluorophenoxy)-2-oxoethoxy]phenyl]-diphenylsulfanium |
| SMILES | Fc1ccc2c(c1)Oc1cc(F)ccc1[S+]2c1ccc(C(F)(F)F)cc1.Fc1ccc2c(c1)c1cc(F)ccc1[s+]2-c1ccc(C(F)(F)F)cc1.O=C(COc1ccc([S+](c2ccccc2)c2ccccc2)cc1)Oc1cc(F)cc(F)c1.O=C(COc1ccc([S+](c2ccccc2)c2ccccc2)cc1)Oc1ccc(F)cc1.O=S1(=O)c2cc(F)ccc2[S+](c2ccc(C(F)(F)F)cc2)c2ccc(F)cc21.O=S1c2cc(F)ccc2[S+](c2ccc(C(F)(F)F)cc2)c2ccc(F)cc21 |
| InChI | InChI=1S/C26H19F2O3S.C26H20FO3S.C19H10F5O2S2.C19H10F5OS2.C19H10F5OS.C19H10F5S/c27-19-15-20(28)17-22(16-19)31-26(29)18-30-21-11-13-25(14-12-21)32(23-7-3-1-4-8-23)24-9-5-2-6-10-24;27-20-11-13-22(14-12-20)30-26(28)19-29-21-15-17-25(18-16-21)31(23-7-3-1-4-8-23)24-9-5-2-6-10-24;20-12-3-7-15-17(9-12)28(25,26)18-10-13(21)4-8-16(18)27(15)14-5-1-11(2-6-14)19(22,23)24;20-12-3-7-15-17(9-12)27(25)18-10-13(21)4-8-16(18)26(15)14-5-1-11(2-6-14)19(22,23)24;20-12-3-7-17-15(9-12)25-16-10-13(21)4-8-18(16)26(17)14-5-1-11(2-6-14)19(22,23)24;20-12-3-7-17-15(9-12)16-10-13(21)4-8-18(16)25(17)14-5-1-11(2-6-14)19(22,23)24/h1-17H,18H2;1-18H,19H2;1-10H;1-10H;1-10H;1-10H/q6*+1 |
| InChIKey | ZVYWPGXKPMJCGW-UHFFFAOYSA-N |
| XLogP | 35.95 |
| TPSA | 131.50 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 10 |
| Rotatable Bonds | 18 |
| Heavy Atoms | 169 |
| Complexity | — |
2 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2470.52 |
| LogP ≤ 5 | 35.95 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 10 |
| Structural Alerts | {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'} |
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