5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazole-3-thiol
5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 2219-0006 |
| Compound Name: | 5-(4-chlorophenyl)-4-phenyl-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 287.77 |
| Molecular Formula: | C14 H10 Cl N3 S |
| Smiles: | c1ccc(cc1)n1c(c2ccc(cc2)[Cl])nnc1S |
| Stereo: | ACHIRAL |
| logP: | 3.7896 |
| logD: | 2.247 |
| logSw: | -4.5503 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 23.4577 |
| InChI Key: | AJOJIGWGJWZBOB-UHFFFAOYSA-N |