5-cyclopropyl-4-(2,5-dimethylphenyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-cyclopropyl-4-(2,5-dimethylphenyl)-4H-1,2,4-triazole-3-thiol
5-cyclopropyl-4-(2,5-dimethylphenyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 5742-0466 |
| Compound Name: | 5-cyclopropyl-4-(2,5-dimethylphenyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 245.34 |
| Molecular Formula: | C13 H15 N3 S |
| Smiles: | Cc1ccc(C)c(c1)n1c(C2CC2)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 3.2587 |
| logD: | 1.0516 |
| logSw: | -3.1457 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 23.6799 |
| InChI Key: | ZRIYPHUNCZZHJA-UHFFFAOYSA-N |