5-(4-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-(4-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol
5-(4-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | C301-4258 |
| Compound Name: | 5-(4-methoxyphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 247.32 |
| Molecular Formula: | C12 H13 N3 O S |
| Smiles: | COc1ccc(cc1)c1nnc(n1CC=C)S |
| Stereo: | ACHIRAL |
| logP: | 2.5524 |
| logD: | 1.922 |
| logSw: | -2.4593 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 30.5081 |
| InChI Key: | MVQQXNAKPPUALI-UHFFFAOYSA-N |