5-(4-bromophenyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
Chemical Structure Depiction of
5-(4-bromophenyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
5-(4-bromophenyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
Compound characteristics
| Compound ID: | 6516-0012 |
| Compound Name: | 5-(4-bromophenyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione |
| Molecular Weight: | 332.22 |
| Molecular Formula: | C14 H10 Br N3 S |
| Smiles: | c1ccc(cc1)N1C(c2ccc(cc2)[Br])=NNC1=S |
| Stereo: | ACHIRAL |
| logP: | 4.2513 |
| logD: | 3.0111 |
| logSw: | -4.5159 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 26.9733 |
| InChI Key: | VPTPLVZQLRTFJZ-UHFFFAOYSA-N |