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 |