5-(2-methylphenyl)-4-(prop-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Chemical Structure Depiction of
5-(2-methylphenyl)-4-(prop-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
5-(2-methylphenyl)-4-(prop-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Compound characteristics
| Compound ID: | 4933-0014 |
| Compound Name: | 5-(2-methylphenyl)-4-(prop-2-en-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione |
| Molecular Weight: | 231.32 |
| Molecular Formula: | C12 H13 N3 S |
| Smiles: | Cc1ccccc1C1=NNC(N1CC=C)=S |
| Stereo: | ACHIRAL |
| logP: | 3.1319 |
| logD: | 2.7714 |
| logSw: | -3.3931 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 27.8347 |
| InChI Key: | BOKMEJQLNQDLIT-UHFFFAOYSA-N |