{4-oxo-2-sulfanylidene-5-[(2,4,6-trimethylphenyl)methylidene]-1,3-thiazolidin-3-yl}acetic acid
Chemical Structure Depiction of
{4-oxo-2-sulfanylidene-5-[(2,4,6-trimethylphenyl)methylidene]-1,3-thiazolidin-3-yl}acetic acid
{4-oxo-2-sulfanylidene-5-[(2,4,6-trimethylphenyl)methylidene]-1,3-thiazolidin-3-yl}acetic acid
Compound characteristics
| Compound ID: | 1996-0232 |
| Compound Name: | {4-oxo-2-sulfanylidene-5-[(2,4,6-trimethylphenyl)methylidene]-1,3-thiazolidin-3-yl}acetic acid |
| Molecular Weight: | 321.41 |
| Molecular Formula: | C15 H15 N O3 S2 |
| Smiles: | Cc1cc(C)c(/C=C2/C(N(CC(O)=O)C(=S)S2)=O)c(C)c1 |
| Stereo: | ACHIRAL |
| logP: | 2.7466 |
| logD: | -0.3723 |
| logSw: | -2.6011 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.098 |
| InChI Key: | IIWGSZYYGUPINA-UHFFFAOYSA-N |