4-[(1-phenyl-1H-1,2,4-triazol-5-yl)sulfanyl]but-2-yn-1-ol
Chemical Structure Depiction of
4-[(1-phenyl-1H-1,2,4-triazol-5-yl)sulfanyl]but-2-yn-1-ol
4-[(1-phenyl-1H-1,2,4-triazol-5-yl)sulfanyl]but-2-yn-1-ol
Compound characteristics
| Compound ID: | 7199-0095 |
| Compound Name: | 4-[(1-phenyl-1H-1,2,4-triazol-5-yl)sulfanyl]but-2-yn-1-ol |
| Molecular Weight: | 245.3 |
| Molecular Formula: | C12 H11 N3 O S |
| Smiles: | C(C#CCSc1ncnn1c1ccccc1)O |
| Stereo: | ACHIRAL |
| logP: | 1.9232 |
| logD: | 1.9232 |
| logSw: | -1.7272 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 42.339 |
| InChI Key: | OFGRJGFEOPESTI-UHFFFAOYSA-N |