5,5-dimethyl-3-[2-(5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)ethyl]oxolan-2-one
Chemical Structure Depiction of
5,5-dimethyl-3-[2-(5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)ethyl]oxolan-2-one
5,5-dimethyl-3-[2-(5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)ethyl]oxolan-2-one
Compound characteristics
| Compound ID: | 8016-0084 |
| Compound Name: | 5,5-dimethyl-3-[2-(5-sulfanylidene-4,5-dihydro-1H-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(CCC2NC(NN=2)=S)C(=O)O1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3804 |
| logD: | 0.4298 |
| logSw: | -2.1834 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.216 |
| InChI Key: | PNVRGYHEPQYAHM-LURJTMIESA-N |