5-(4-bromothiophen-2-yl)-4-(2,4-dimethylphenyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-(4-bromothiophen-2-yl)-4-(2,4-dimethylphenyl)-4H-1,2,4-triazole-3-thiol
5-(4-bromothiophen-2-yl)-4-(2,4-dimethylphenyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-5609 |
| Compound Name: | 5-(4-bromothiophen-2-yl)-4-(2,4-dimethylphenyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 366.3 |
| Molecular Formula: | C14 H12 Br N3 S2 |
| Smiles: | Cc1ccc(c(C)c1)n1c(c2cc(cs2)[Br])nnc1S |
| Stereo: | ACHIRAL |
| logP: | 4.8967 |
| logD: | 3.0242 |
| logSw: | -4.7052 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 24.1751 |
| InChI Key: | JKRFYAVLQISKIF-UHFFFAOYSA-N |