5-(4-chlorophenyl)-4-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-(4-chlorophenyl)-4-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol
5-(4-chlorophenyl)-4-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8018-6057 |
| Compound Name: | 5-(4-chlorophenyl)-4-(pyridin-3-yl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 288.76 |
| Molecular Formula: | C13 H9 Cl N4 S |
| Smiles: | c1cc(cnc1)n1c(c2ccc(cc2)[Cl])nnc1S |
| Stereo: | ACHIRAL |
| logP: | 2.8077 |
| logD: | 1.5504 |
| logSw: | -3.3277 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.975 |
| InChI Key: | VSJUDUFOECZRNJ-UHFFFAOYSA-N |