5-(2-chlorophenyl)-4-(prop-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Chemical Structure Depiction of
5-(2-chlorophenyl)-4-(prop-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
5-(2-chlorophenyl)-4-(prop-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Compound characteristics
| Compound ID: | 5750-2194 |
| Compound Name: | 5-(2-chlorophenyl)-4-(prop-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione |
| Molecular Weight: | 251.73 |
| Molecular Formula: | C11 H10 Cl N3 S |
| Smiles: | C=CCN1C(c2ccccc2[Cl])=NNC1=S |
| Stereo: | ACHIRAL |
| logP: | 3.3117 |
| logD: | 1.177 |
| logSw: | -4.0253 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 27.8347 |
| InChI Key: | PDCUSSPUBSHCDY-UHFFFAOYSA-N |