5-(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methylpropyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methylpropyl)-4H-1,2,4-triazole-3-thiol
5-(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methylpropyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y501-6985 |
| Compound Name: | 5-(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)-4-(2-methylpropyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 330.25 |
| Molecular Formula: | C11 H16 Br N5 S |
| Smiles: | CC(C)Cn1c(c2c(c(C)n(C)n2)[Br])nnc1S |
| Stereo: | ACHIRAL |
| logP: | 2.1681 |
| logD: | 2.0738 |
| logSw: | -1.8826 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.019 |
| InChI Key: | CTJPGOQTLRAKFQ-UHFFFAOYSA-N |