HuagongsheHuagongshe Chemistry Print Report · For research reference only
3-[(2,4-Dichlorophenyl)methyl]-5-(pyridin-2-ylmethylidene)-1,3-thiazolidine-2,4-dione
3-(2,4-dichlorobenzyl)-5-(2-pyridinylmethylene)-1,3-thiazolidine-2,4-dione · 2,4-Thiazolidinedione, 3-[(2,4-dichlorophenyl)methyl]-5-(2-pyridinylmethylene)-
![3-[(2,4-Dichlorophenyl)methyl]-5-(pyridin-2-ylmethylidene)-1,3-thiazolidine-2,4-dione molecular structure](/img/chemical/178616632.png)
Identifiers & Physical Properties
| CAS No. | 592539-09-8 |
|---|---|
| Molecular formula | C16H10Cl2N2O2S |
| Average molar mass | 365.2 g/mol |
| Monoisotopic mass | 363.9840041 g/mol |
| SMILES | O=C1SC(=Cc2ccccn2)C(=O)N1Cc1ccc(Cl)cc1Cl |
| InChIKey | LJHAVWHTKMRGAB-UHFFFAOYSA-N |
| PubChem CID | 4545512 |
Chemical & Physical Properties
| XLogP | 4.1 |
|---|---|
| Topological polar surface area | 75.6 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 3 |
| Heavy atoms | 23 |
| Formal charge | 0 |
| Complexity | 514 |
| Boiling point | 526.3±60.0 °C(Predicted) |
| Density | 1.551±0.06 g/cm3(Predicted) |
| pKa (acidity coefficient) | 1.65±0.19(Predicted) |