5-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-4H-1,2,4-triazole-3-thiol
5-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8016-5513 |
| Compound Name: | 5-(5-methyl-1H-pyrazol-3-yl)-4-phenyl-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 257.31 |
| Molecular Formula: | C12 H11 N5 S |
| Smiles: | Cc1cc(c2nnc(n2c2ccccc2)S)n[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 1.9755 |
| logD: | 1.0847 |
| logSw: | -1.8678 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 46.026 |
| InChI Key: | SSXCFPRCVJVWCU-UHFFFAOYSA-N |