5-(4-tert-butylphenyl)-4-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-(4-tert-butylphenyl)-4-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol
5-(4-tert-butylphenyl)-4-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 2219-0084 |
| Compound Name: | 5-(4-tert-butylphenyl)-4-(2-methylphenyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 323.46 |
| Molecular Formula: | C19 H21 N3 S |
| Smiles: | Cc1ccccc1n1c(c2ccc(cc2)C(C)(C)C)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 5.4699 |
| logD: | 2.9689 |
| logSw: | -5.7348 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 23.1568 |
| InChI Key: | JBXKHZKTRVOGTD-UHFFFAOYSA-N |