5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-phenyl-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-phenyl-4H-1,2,4-triazole-3-thiol
5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-phenyl-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 6049-0304 |
| Compound Name: | 5-(4-chloro-1,5-dimethyl-1H-pyrazol-3-yl)-4-phenyl-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 305.79 |
| Molecular Formula: | C13 H12 Cl N5 S |
| Smiles: | Cc1c(c(c2nnc(n2c2ccccc2)S)nn1C)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.0625 |
| logD: | 1.1717 |
| logSw: | -2.6739 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 38.491 |
| InChI Key: | ZAYCLKKLFNIJAG-UHFFFAOYSA-N |