5-Fluoro-o-tolyl Isothiocyanate
4-fluoro-2-isothiocyanato-1-methylbenzene
Also Known As: 5-Fluoro-2-methylphenyl isothiocyanate|4-Fluoro-2-isothiocyanato-1-methylbenzene|2-methyl-5-fluorophenylisothiocyanate|5-Fluoro-o-tolyl Isothiocyanate|ACMC-20am3d|2-methyl-5-fluorophenyl isothiocyanate|5-Fluoro-2-methylphenylisothiocyanate|4-Fluoro-2-isothiocyanatotoluene|Benzene, 4-fluoro-2-isothiocyanato-1-methyl-|5-fluoro-2-methylbenzenisothiocyanate|5787AD|CK2530|5-fluoro-2-methylphenyl-isothiocyanate|Isothiocyanic Acid 5-Fluoro-o-tolyl Ester|5-fluoro-2-methylphenylisothiocyanate97%|5-fluoro-2-methylphenyl isothiocyanate 97%|4-Fluoro-2-isothiocyanato-1-methylbenzene #|Benzene,4-fluoro-2-isothiocyanato-1-methyl-|4-FLUORO-2-ISOTHIOCYANATO-1-METHYL-BENZENE|C-5462|I09-2802|benzene, 4-fluoro-2-isothiocyanato-1-methyl- (9ci)
| Molecular Formula | C8H6FNS |
|---|---|
| Molecular Weight | 167.0205 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 44.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 167.0205 |
| Monoisotopic Mass | 167.0205 |
| Heavy Atoms | 11 |
| Complexity | 177.0 |
Chemical Identifiers
| CAS Number | 175205-39-7 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)F)N=C=S |
| InChIKey | QVCYTKXGZLOVFA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Fluoro-o-tolyl Isothiocyanate (CAS 175205-39-7), with molecular formula C8H6FNS and molecular weight 167.0205 g/mol. IUPAC: 4-fluoro-2-isothiocyanato-1-methylbenzene.