5-(4-tert-butylphenyl)-4-methyl-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-(4-tert-butylphenyl)-4-methyl-4H-1,2,4-triazole-3-thiol
5-(4-tert-butylphenyl)-4-methyl-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8012-4052 |
| Compound Name: | 5-(4-tert-butylphenyl)-4-methyl-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 247.36 |
| Molecular Formula: | C13 H17 N3 S |
| Smiles: | CC(C)(C)c1ccc(cc1)c1nnc(n1C)S |
| Stereo: | ACHIRAL |
| logP: | 3.9692 |
| logD: | 3.2314 |
| logSw: | -4.0371 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 27.622 |
| InChI Key: | WBHKPLKLHZOBRB-UHFFFAOYSA-N |