5-(2-chloro-4-methylphenyl)-4-methyl-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-(2-chloro-4-methylphenyl)-4-methyl-4H-1,2,4-triazole-3-thiol
5-(2-chloro-4-methylphenyl)-4-methyl-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8014-2439 |
| Compound Name: | 5-(2-chloro-4-methylphenyl)-4-methyl-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 239.72 |
| Molecular Formula: | C10 H10 Cl N3 S |
| Smiles: | Cc1ccc(c(c1)[Cl])c1nnc(n1C)S |
| Stereo: | ACHIRAL |
| logP: | 2.4778 |
| logD: | 1.8473 |
| logSw: | -3.5913 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 23.796 |
| InChI Key: | KOLUGUSYZUHLIA-UHFFFAOYSA-N |