Pentafluorophenylisothiocyanate
1,2,3,4,5-pentafluoro-6-isothiocyanatobenzene
Also Known As: Pentafluorophenyl isothiocyanate|Pentafluorophenylisothiocyanate|Perfluorophenyl isothiocyanate|NAPHTHOLAS-BO|Benzene, pentafluoroisothiocyanato-|Pentafluorophenyl-isothiocyanate|1,2,3,4,5-Pentafluoro-6-isothiocyanatobenzene|Pentafluoroisothiocyanatobenzene|2,3,4,5,6-Pentafluorophenyl isothiocyanate|2,3,4,5,6-pentafluorophenylisothiocyanate|1563AE|Pentafluorophenyl isothiocyanate =96%|PENTAFLUOROPHENYL ISOTHIOCYANATE 1G|PENTAFLUOROPHENYL ISOTHIOCYANATE 5G|Pentafluorophenyl isothiocyanate, 96% 1g|2,3,4,5,6-pentafluorobenzenisothiocyanate|K-8081|1,2,3,4,5-PENTAFLUORO-6-ISOTHIOCYANATO-BENZENE|1,2,3,4,5-Pentafluoro-6-isothiocyanatobenzene #|Benzene,1,2,3,4,5-pentafluoro-6-isothiocyanato-
| Molecular Formula | C7F5NS |
|---|---|
| Molecular Weight | 224.96716 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 44.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 1 |
| Exact Mass | 224.96716 |
| Monoisotopic Mass | 224.96716 |
| Heavy Atoms | 14 |
| Complexity | 240.0 |
Chemical Identifiers
| CAS Number | 77977-73-2 |
|---|---|
| SMILES | C(=NC1=C(C(=C(C(=C1F)F)F)F)F)=S |
| InChIKey | NGNKMRBGZPDABE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pentafluorophenylisothiocyanate (CAS 77977-73-2), with molecular formula C7F5NS and molecular weight 224.96716 g/mol. IUPAC: 1,2,3,4,5-pentafluoro-6-isothiocyanatobenzene.
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