5-(2-chloro-4-methylphenyl)-4-phenyl-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-(2-chloro-4-methylphenyl)-4-phenyl-4H-1,2,4-triazole-3-thiol
5-(2-chloro-4-methylphenyl)-4-phenyl-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8014-2561 |
| Compound Name: | 5-(2-chloro-4-methylphenyl)-4-phenyl-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 301.79 |
| Molecular Formula: | C15 H12 Cl N3 S |
| Smiles: | Cc1ccc(c(c1)[Cl])c1nnc(n1c1ccccc1)S |
| Stereo: | ACHIRAL |
| logP: | 3.9289 |
| logD: | 2.3863 |
| logSw: | -4.4061 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 23.4577 |
| InChI Key: | IQRNQKGUGZTTPR-UHFFFAOYSA-N |