2-[4-(5,5-dimethyl-2-oxooxolan-3-yl)butan-2-ylidene]hydrazine-1-carbothioamide
Chemical Structure Depiction of
2-[4-(5,5-dimethyl-2-oxooxolan-3-yl)butan-2-ylidene]hydrazine-1-carbothioamide
2-[4-(5,5-dimethyl-2-oxooxolan-3-yl)butan-2-ylidene]hydrazine-1-carbothioamide
Compound characteristics
| Compound ID: | 4075-3173 |
| Compound Name: | 2-[4-(5,5-dimethyl-2-oxooxolan-3-yl)butan-2-ylidene]hydrazine-1-carbothioamide |
| Molecular Weight: | 257.35 |
| Molecular Formula: | C11 H19 N3 O2 S |
| Smiles: | C\C(CCC1CC(C)(C)OC1=O)=N/NC(N)=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.5214 |
| logD: | 1.5214 |
| logSw: | -2.0628 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 62.222 |
| InChI Key: | XQIWHJKTANNQNU-QMMMGPOBSA-N |