4,5-bis(4-bromophenyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4,5-bis(4-bromophenyl)-4H-1,2,4-triazole-3-thiol
4,5-bis(4-bromophenyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
Compound ID: | 2219-0194 |
Compound Name: | 4,5-bis(4-bromophenyl)-4H-1,2,4-triazole-3-thiol |
Molecular Weight: | 411.11 |
Molecular Formula: | C14 H9 Br2 N3 S |
Smiles: | c1cc(ccc1c1nnc(n1c1ccc(cc1)[Br])S)[Br] |
Stereo: | ACHIRAL |
logP: | 4.9842 |
logD: | 3.4417 |
logSw: | -5.0984 |
Hydrogen bond acceptors count: | 3 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 23.4577 |
InChI Key: | YTTVCUUADSPOAF-UHFFFAOYSA-N |