5,5-dimethyl-3-[2-(5-sulfanyl-4H-1,2,4-triazol-3-yl)ethyl]oxolan-2-one
Chemical Structure Depiction of
5,5-dimethyl-3-[2-(5-sulfanyl-4H-1,2,4-triazol-3-yl)ethyl]oxolan-2-one
5,5-dimethyl-3-[2-(5-sulfanyl-4H-1,2,4-triazol-3-yl)ethyl]oxolan-2-one
Compound characteristics
| Compound ID: | 6521-0199 |
| Compound Name: | 5,5-dimethyl-3-[2-(5-sulfanyl-4H-1,2,4-triazol-3-yl)ethyl]oxolan-2-one |
| Molecular Weight: | 241.31 |
| Molecular Formula: | C10 H15 N3 O2 S |
| Smiles: | CC1(C)CC(CCc2nnc([nH]2)S)C(=O)O1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.8639 |
| logD: | 0.5741 |
| logSw: | -1.1882 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 53.419 |
| InChI Key: | PNVRGYHEPQYAHM-LURJTMIESA-N |