5,5-dimethyl-3-[2-(5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)propyl]oxolan-2-one
Chemical Structure Depiction of
5,5-dimethyl-3-[2-(5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)propyl]oxolan-2-one
5,5-dimethyl-3-[2-(5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)propyl]oxolan-2-one
Compound characteristics
| Compound ID: | 8016-0085 |
| Compound Name: | 5,5-dimethyl-3-[2-(5-sulfanylidene-4,5-dihydro-1H-1,2,4-triazol-3-yl)propyl]oxolan-2-one |
| Molecular Weight: | 255.34 |
| Molecular Formula: | C11 H17 N3 O2 S |
| Smiles: | CC(CC1CC(C)(C)OC1=O)C1NC(NN=1)=S |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 1.8708 |
| logD: | 0.69 |
| logSw: | -2.5431 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 57.206 |
| InChI Key: | QNGJBKWJBLDJIY-UHFFFAOYSA-N |