3-sulfanylidene-1-(trifluoromethyl)-3,5,6,7-tetrahydro-2H-cyclopenta[c]pyridine-4-carbonitrile
Chemical Structure Depiction of
3-sulfanylidene-1-(trifluoromethyl)-3,5,6,7-tetrahydro-2H-cyclopenta[c]pyridine-4-carbonitrile
3-sulfanylidene-1-(trifluoromethyl)-3,5,6,7-tetrahydro-2H-cyclopenta[c]pyridine-4-carbonitrile
Compound characteristics
| Compound ID: | Y501-4299 |
| Compound Name: | 3-sulfanylidene-1-(trifluoromethyl)-3,5,6,7-tetrahydro-2H-cyclopenta[c]pyridine-4-carbonitrile |
| Molecular Weight: | 244.23 |
| Molecular Formula: | C10 H7 F3 N2 S |
| Smiles: | C1CC2=C(C#N)C(NC(=C2C1)C(F)(F)F)=S |
| Stereo: | ACHIRAL |
| logP: | 2.5204 |
| logD: | -3.2127 |
| logSw: | -2.4984 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 29.5296 |
| InChI Key: | DRCFBIPXDVXITR-UHFFFAOYSA-N |