5-(3-chloro-4-methylphenyl)-4-phenyl-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-(3-chloro-4-methylphenyl)-4-phenyl-4H-1,2,4-triazole-3-thiol
5-(3-chloro-4-methylphenyl)-4-phenyl-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8014-2564 |
| Compound Name: | 5-(3-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(cc1[Cl])c1nnc(n1c1ccccc1)S |
| Stereo: | ACHIRAL |
| logP: | 4.393 |
| logD: | 2.8505 |
| logSw: | -4.6725 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 23.4577 |
| InChI Key: | VJKGFMLZJCDCQC-UHFFFAOYSA-N |