5-(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)-4-ethyl-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)-4-ethyl-4H-1,2,4-triazole-3-thiol
5-(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)-4-ethyl-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y500-8472 |
| Compound Name: | 5-(4-bromo-1,5-dimethyl-1H-pyrazol-3-yl)-4-ethyl-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 302.19 |
| Molecular Formula: | C9 H12 Br N5 S |
| Smiles: | CCn1c(c2c(c(C)n(C)n2)[Br])nnc1S |
| Stereo: | ACHIRAL |
| logP: | 1.2752 |
| logD: | 1.1804 |
| logSw: | -0.7602 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.744 |
| InChI Key: | XVSGTILNPDGWGU-UHFFFAOYSA-N |