C159H142F16O20S12+6 — CID 158223772
difluoromethane;diphenyl-(2,4,6-trimethylphenyl)sulfanium;1-fluoro-4-methoxyperoxysulfanylbenzene;4-fluoro-1-methoxyperoxysulfanyl-2-methylbenzene;4-fluoro-2-methoxyperoxysulfanyl-1-methylbenzene;(4-hydroxyphenyl)-diphenylsulfanium;1-methoxyperoxysulfanyl-2-(trifluoromethyl)benzene;1-methoxyperoxysulfanyl-3-(trifluoromethyl)benzene;(4-methoxyphenyl)-diphenylsulfanium;1,2,3,4,5-pentafluoro-6-methoxyperoxysulfanylbenzene;tris(triphenylsulfanium) (PubChem CID 158223772) has the molecular formula C159H142F16O20S12+6 and a molecular weight of 3061.64 g/mol. Its IUPAC name is difluoromethane;diphenyl-(2,4,6-trimethylphenyl)sulfanium;1-fluoro-4-methoxyperoxysulfanylbenzene;4-fluoro-1-methoxyperoxysulfanyl-2-methylbenzene;4-fluoro-2-methoxyperoxysulfanyl-1-methylbenzene;(4-hydroxyphenyl)-diphenylsulfanium;1-methoxyperoxysulfanyl-2-(trifluoromethyl)benzene;1-methoxyperoxysulfanyl-3-(trifluoromethyl)benzene;(4-methoxyphenyl)-diphenylsulfanium;1,2,3,4,5-pentafluoro-6-methoxyperoxysulfanylbenzene;tris(triphenylsulfanium).
| Compound Name | difluoromethane;diphenyl-(2,4,6-trimethylphenyl)sulfanium;1-fluoro-4-methoxyperoxysulfanylbenzene;4-fluoro-1-methoxyperoxysulfanyl-2-methylbenzene;4-fluoro-2-methoxyperoxysulfanyl-1-methylbenzene;(4-hydroxyphenyl)-diphenylsulfanium;1-methoxyperoxysulfanyl-2-(trifluoromethyl)benzene;1-methoxyperoxysulfanyl-3-(trifluoromethyl)benzene;(4-methoxyphenyl)-diphenylsulfanium;1,2,3,4,5-pentafluoro-6-methoxyperoxysulfanylbenzene;tris(triphenylsulfanium) |
|---|---|
| PubChem CID | 158223772 |
| Molecular Formula | C159H142F16O20S12+6 |
| Molecular Weight | 3061.64 g/mol |
| Exact Mass | 3058.65 |
| IUPAC Name | difluoromethane;diphenyl-(2,4,6-trimethylphenyl)sulfanium;1-fluoro-4-methoxyperoxysulfanylbenzene;4-fluoro-1-methoxyperoxysulfanyl-2-methylbenzene;4-fluoro-2-methoxyperoxysulfanyl-1-methylbenzene;(4-hydroxyphenyl)-diphenylsulfanium;1-methoxyperoxysulfanyl-2-(trifluoromethyl)benzene;1-methoxyperoxysulfanyl-3-(trifluoromethyl)benzene;(4-methoxyphenyl)-diphenylsulfanium;1,2,3,4,5-pentafluoro-6-methoxyperoxysulfanylbenzene;tris(triphenylsulfanium) |
| SMILES | COOOSc1c(F)c(F)c(F)c(F)c1F.COOOSc1cc(F)ccc1C.COOOSc1ccc(F)cc1.COOOSc1ccc(F)cc1C.COOOSc1cccc(C(F)(F)F)c1.COOOSc1ccccc1C(F)(F)F.COc1ccc([S+](c2ccccc2)c2ccccc2)cc1.Cc1cc(C)c([S+](c2ccccc2)c2ccccc2)c(C)c1.FCF.Oc1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1.c1ccc([S+](c2ccccc2)c2ccccc2)cc1 |
| InChI | InChI=1S/C21H21S.C19H17OS.C18H14OS.3C18H15S.2C8H7F3O3S.2C8H9FO3S.C7H3F5O3S.C7H7FO3S.CH2F2/c1-16-14-17(2)21(18(3)15-16)22(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;19-15-11-13-18(14-12-15)20(16-7-3-1-4-8-16)17-9-5-2-6-10-17;3*1-4-10-16(11-5-1)19(17-12-6-2-7-13-17)18-14-8-3-9-15-18;1-12-13-14-15-7-4-2-3-6(5-7)8(9,10)11;1-12-13-14-15-7-5-3-2-4-6(7)8(9,10)11;1-6-5-7(9)3-4-8(6)13-12-11-10-2;1-6-3-4-7(9)5-8(6)13-12-11-10-2;1-13-14-15-16-7-5(11)3(9)2(8)4(10)6(7)12;1-9-10-11-12-7-4-2-6(8)3-5-7;2-1-3/h4-15H,1-3H3;2-15H,1H3;1-14H;3*1-15H;2*2-5H,1H3;2*3-5H,1-2H3;1H3;2-5H,1H3;1H2/q2*+1;;3*+1;;;;;;;/p+1 |
| InChIKey | GDODHCAEPUODIT-UHFFFAOYSA-O |
| XLogP | 47.20 |
| TPSA | 195.60 Ų |
| H-Bond Donors | 1 |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 43 |
| Heavy Atoms | 207 |
| Complexity | — |
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3061.64 |
| LogP ≤ 5 | 47.20 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 26 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'charged_oxygen_or_sulfur_atoms', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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