4-benzyl-5-methyl-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-benzyl-5-methyl-4H-1,2,4-triazole-3-thiol
4-benzyl-5-methyl-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8010-9269 |
| Compound Name: | 4-benzyl-5-methyl-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 205.28 |
| Molecular Formula: | C10 H11 N3 S |
| Smiles: | Cc1nnc(n1Cc1ccccc1)S |
| Stereo: | ACHIRAL |
| logP: | 1.486 |
| logD: | 1.0615 |
| logSw: | -1.1418 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 23.763 |
| InChI Key: | KPEVOVMFLHPYIS-UHFFFAOYSA-N |