5-(4-bromo-5-ethylthiophen-2-yl)-4-methyl-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-(4-bromo-5-ethylthiophen-2-yl)-4-methyl-4H-1,2,4-triazole-3-thiol
5-(4-bromo-5-ethylthiophen-2-yl)-4-methyl-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y500-8534 |
| Compound Name: | 5-(4-bromo-5-ethylthiophen-2-yl)-4-methyl-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 304.23 |
| Molecular Formula: | C9 H10 Br N3 S2 |
| Smiles: | CCc1c(cc(c2nnc(n2C)S)s1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 3.0459 |
| logD: | 2.799 |
| logSw: | -3.0474 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 24.8143 |
| InChI Key: | GMWKMHQQGPPPPS-UHFFFAOYSA-N |