3-[(1H-1,2,4-triazol-3-yl)sulfanyl]pentane-2,4-dione
Chemical Structure Depiction of
3-[(1H-1,2,4-triazol-3-yl)sulfanyl]pentane-2,4-dione
3-[(1H-1,2,4-triazol-3-yl)sulfanyl]pentane-2,4-dione
Compound characteristics
| Compound ID: | D385-0340 |
| Compound Name: | 3-[(1H-1,2,4-triazol-3-yl)sulfanyl]pentane-2,4-dione |
| Molecular Weight: | 199.23 |
| Molecular Formula: | C7 H9 N3 O2 S |
| Smiles: | CC(C(C(C)=O)Sc1nc[nH]n1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.0244 |
| logD: | -2.2004 |
| logSw: | -1.9681 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.317 |
| InChI Key: | PZIHVSFUMBWKES-UHFFFAOYSA-N |