5-(4-bromo-5-ethylthiophen-2-yl)-4-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-(4-bromo-5-ethylthiophen-2-yl)-4-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol
5-(4-bromo-5-ethylthiophen-2-yl)-4-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-6152 |
| Compound Name: | 5-(4-bromo-5-ethylthiophen-2-yl)-4-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 380.33 |
| Molecular Formula: | C15 H14 Br N3 S2 |
| Smiles: | CCc1c(cc(c2nnc(n2c2ccccc2C)S)s1)[Br] |
| Stereo: | ACHIRAL |
| logP: | 4.9776 |
| logD: | 3.1052 |
| logSw: | -4.6613 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 24.1751 |
| InChI Key: | CYKSBYZGUYVWHD-UHFFFAOYSA-N |