5-(4,5-dibromothiophen-2-yl)-4-(2,3-dimethylphenyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-(4,5-dibromothiophen-2-yl)-4-(2,3-dimethylphenyl)-4H-1,2,4-triazole-3-thiol
5-(4,5-dibromothiophen-2-yl)-4-(2,3-dimethylphenyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-6204 |
| Compound Name: | 5-(4,5-dibromothiophen-2-yl)-4-(2,3-dimethylphenyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 445.19 |
| Molecular Formula: | C14 H11 Br2 N3 S2 |
| Smiles: | Cc1cccc(c1C)n1c(c2cc(c(s2)[Br])[Br])nnc1S |
| Stereo: | ACHIRAL |
| logP: | 5.3245 |
| logD: | 3.452 |
| logSw: | -5.598 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 24.1751 |
| InChI Key: | XXZVJTUWNDXQLP-UHFFFAOYSA-N |