5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazole-3-thiol
5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 2219-0008 |
| Compound Name: | 5-(4-tert-butylphenyl)-4-phenyl-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 309.43 |
| Molecular Formula: | C18 H19 N3 S |
| Smiles: | CC(C)(C)c1ccc(cc1)c1nnc(n1c1ccccc1)S |
| Stereo: | ACHIRAL |
| logP: | 5.2119 |
| logD: | 3.9717 |
| logSw: | -5.2492 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 26.9733 |
| InChI Key: | CYEYPXVUKBYMES-UHFFFAOYSA-N |