5-(3-ethoxyphenyl)-4-methyl-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-(3-ethoxyphenyl)-4-methyl-4H-1,2,4-triazole-3-thiol
5-(3-ethoxyphenyl)-4-methyl-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8014-5703 |
| Compound Name: | 5-(3-ethoxyphenyl)-4-methyl-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 235.3 |
| Molecular Formula: | C11 H13 N3 O S |
| Smiles: | CCOc1cccc(c1)c1nnc(n1C)S |
| Stereo: | ACHIRAL |
| logP: | 2.1916 |
| logD: | 1.5611 |
| logSw: | -2.3982 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 30.9196 |
| InChI Key: | CAURZSQEPDAZTD-UHFFFAOYSA-N |