5-[(2-methylphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
5-[(2-methylphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol
5-[(2-methylphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 8009-0283 |
| Compound Name: | 5-[(2-methylphenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 261.34 |
| Molecular Formula: | C13 H15 N3 O S |
| Smiles: | Cc1ccccc1OCc1nnc(n1CC=C)S |
| Stereo: | ACHIRAL |
| logP: | 2.463 |
| logD: | 2.0385 |
| logSw: | -2.3574 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.5263 |
| InChI Key: | UXZAKEGSCMCZGC-UHFFFAOYSA-N |