3-{5-[(cyclohex-3-en-1-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoic acid
Chemical Structure Depiction of
3-{5-[(cyclohex-3-en-1-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoic acid
3-{5-[(cyclohex-3-en-1-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoic acid
Compound characteristics
| Compound ID: | Y070-0722 |
| Compound Name: | 3-{5-[(cyclohex-3-en-1-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl}propanoic acid |
| Molecular Weight: | 297.39 |
| Molecular Formula: | C13 H15 N O3 S2 |
| Smiles: | C1CC(CC=C1)/C=C1/C(N(CCC(O)=O)C(=S)S1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1622 |
| logD: | -0.3704 |
| logSw: | -1.9834 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.268 |
| InChI Key: | HTLXXFIVEOKRQN-SECBINFHSA-N |