2-(Trifluoromethyl)phenyl isothiocyanate
1-isothiocyanato-2-(trifluoromethyl)benzene
Also Known As: 2-(Trifluoromethyl)phenyl isothiocyanate|1-isothiocyanato-2-(trifluoromethyl)benzene|myristylmyristate|2-(Isopropylamino)ethanol|Intermediates-ZCF02298|Benzene, 1-isothiocyanato-2-(trifluoromethyl)-|2-(trifluoromethyl)phenylisothiocyanate|2-trifluoromethylphenylisothiocyanate|ACMC-209e87|Trifluoromethylphenylisothiocyanate|2-trifluoromethylphenyl isothiocyanate|KS-000012AF|5634AD|1-isothiocyanato-2-trifluoromethyl-benzene|2-(trifluoromethyl)benzenisothiocyanate|2-trifluoromethyl phenyl isothiocyanate|o-(trifluoromethyl)phenyl isothiocyanate|1-isothiocyanato-2-trifluoromethylbenzene|2-(trifluoromethyl) phenyl isothiocyanate|2-(trifluoromethyl)-phenyl isothiocyanate|2-(trifluoromethyl)-phenyl-isothiocyanate
| Molecular Formula | C8H4F3NS |
|---|---|
| Molecular Weight | 203.00165 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 44.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 203.00165 |
| Monoisotopic Mass | 203.00165 |
| Heavy Atoms | 13 |
| Complexity | 220.0 |
Chemical Identifiers
| CAS Number | 17539-24-1 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(F)(F)F)N=C=S |
| InChIKey | FCEKLQPJGXIQRY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Trifluoromethyl)phenyl isothiocyanate (CAS 17539-24-1), with molecular formula C8H4F3NS and molecular weight 203.00165 g/mol. IUPAC: 1-isothiocyanato-2-(trifluoromethyl)benzene.
2-(Trifluoromethyl)phenyl isothiocyanate is a custom synthesis product. We offer services from milligram to kilogram scale.
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