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 |