4-{[(3-ethyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)imino]methyl}phenol
Chemical Structure Depiction of
4-{[(3-ethyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)imino]methyl}phenol
4-{[(3-ethyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)imino]methyl}phenol
Compound characteristics
| Compound ID: | 8012-2837 |
| Compound Name: | 4-{[(3-ethyl-5-sulfanyl-4H-1,2,4-triazol-4-yl)imino]methyl}phenol |
| Molecular Weight: | 248.3 |
| Molecular Formula: | C11 H12 N4 O S |
| Smiles: | CCc1nnc(n1/N=C/c1ccc(cc1)O)S |
| Stereo: | ACHIRAL |
| logP: | 1.0279 |
| logD: | 0.282 |
| logSw: | -0.8656 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 52.943 |
| InChI Key: | VALMTGAZUIMOKI-UHFFFAOYSA-N |