2-cyano-3-[2-(trifluoromethyl)phenyl]prop-2-enethioamide
Chemical Structure Depiction of
2-cyano-3-[2-(trifluoromethyl)phenyl]prop-2-enethioamide
2-cyano-3-[2-(trifluoromethyl)phenyl]prop-2-enethioamide
Compound characteristics
| Compound ID: | K781-0091 |
| Compound Name: | 2-cyano-3-[2-(trifluoromethyl)phenyl]prop-2-enethioamide |
| Molecular Weight: | 256.25 |
| Molecular Formula: | C11 H7 F3 N2 S |
| Smiles: | C(=C(/C#N)C(N)=S)/c1ccccc1C(F)(F)F |
| Stereo: | ACHIRAL |
| logP: | 2.7384 |
| logD: | 2.7384 |
| logSw: | -3.4095 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 36.748 |
| InChI Key: | HMLCSAVQVIPJPJ-UHFFFAOYSA-N |