5-(2-chlorophenyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-(2-chlorophenyl)-4H-1,2,4-triazole-3-thiol
5-(2-chlorophenyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
Compound ID: | 8002-7386 |
Compound Name: | 5-(2-chlorophenyl)-4H-1,2,4-triazole-3-thiol |
Molecular Weight: | 211.67 |
Molecular Formula: | C8 H6 Cl N3 S |
Smiles: | c1ccc(c(c1)c1nnc([nH]1)S)[Cl] |
Stereo: | ACHIRAL |
logP: | 1.8971 |
logD: | 1.4389 |
logSw: | -3.0129 |
Hydrogen bond acceptors count: | 3 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 31.6219 |
InChI Key: | QYWRKNBGNJZYLS-UHFFFAOYSA-N |