HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-Ethyl-5-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
3-ethyl-5-[3-methoxy-4-(2-propynyloxy)benzylidene]-1,3-thiazolidine-2,4-dione · 2,4-Thiazolidinedione, 3-ethyl-5-[[3-methoxy-4-(2-propyn-1-yloxy)phenyl]methylene]-
![3-Ethyl-5-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione molecular structure](/img/chemical/178740407.png)
Identifiers & Physical Properties
| CAS No. | 429641-37-2 |
|---|---|
| Molecular formula | C16H15NO4S |
| Average molar mass | 317.4 g/mol |
| SMILES | C#CCOc1ccc(C=C2SC(=O)N(CC)C2=O)cc1OC |
| InChIKey | JBKJPRREAHKDFY-UHFFFAOYSA-N |
Chemical & Physical Properties
| XLogP | 2.8 |
|---|---|
| Topological polar surface area | 81.1 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 5 |
| Heavy atoms | 22 |
| Formal charge | 0 |
| Complexity | 521 |
| Boiling point | 478.4±55.0 °C(Predicted) |
| Density | 1.309±0.06 g/cm3(Predicted) |
| pKa (acidity coefficient) | -2.50±0.20(Predicted) |