4-(4-methylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-(4-methylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol
4-(4-methylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | 2219-0033 |
| Compound Name: | 4-(4-methylphenyl)-5-(phenoxymethyl)-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 297.38 |
| Molecular Formula: | C16 H15 N3 O S |
| Smiles: | Cc1ccc(cc1)n1c(COc2ccccc2)nnc1S |
| Stereo: | ACHIRAL |
| logP: | 3.1295 |
| logD: | 1.8702 |
| logSw: | -3.0273 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 31.933 |
| InChI Key: | KHMGQCYNQSFECJ-UHFFFAOYSA-N |