5-[(3-methylphenoxy)methyl]-4-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-[(3-methylphenoxy)methyl]-4-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol
5-[(3-methylphenoxy)methyl]-4-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 2219-0088 |
| Compound Name: | 5-[(3-methylphenoxy)methyl]-4-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 311.4 |
| Molecular Formula: | C17 H17 N3 O S |
| Smiles: | Cc1cccc(c1)OCc1nnc(n1c1ccccc1C)S |
| Stereo: | ACHIRAL |
| logP: | 3.5849 |
| logD: | 1.3778 |
| logSw: | -3.7307 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.632 |
| InChI Key: | CPAYDZJVZOLVBO-UHFFFAOYSA-N |