5-(4-tert-butylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-(4-tert-butylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol
5-(4-tert-butylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | C301-4264 |
| Compound Name: | 5-(4-tert-butylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 273.4 |
| Molecular Formula: | C15 H19 N3 S |
| Smiles: | CC(C)(C)c1ccc(cc1)c1nnc(n1CC=C)S |
| Stereo: | ACHIRAL |
| logP: | 4.693 |
| logD: | 4.2208 |
| logSw: | -4.2992 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 27.8347 |
| InChI Key: | DWHZDECQMUUDJV-UHFFFAOYSA-N |