5-(4-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-(4-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol
5-(4-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 5750-2496 |
| Compound Name: | 5-(4-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 231.32 |
| Molecular Formula: | C12 H13 N3 S |
| Smiles: | Cc1ccc(cc1)c1nnc(n1CC=C)S |
| Stereo: | ACHIRAL |
| logP: | 2.9934 |
| logD: | 2.363 |
| logSw: | -2.8993 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 22.9643 |
| InChI Key: | ZHSGDTYCPUCKAU-UHFFFAOYSA-N |