HuagongsheHuagongshe Chemistry Print Report · For research reference only
5-[(5-Chloro-2,3-dimethoxyphenyl)methylidene]-2-(4-chlorophenyl)imino-3-methyl-1,3-thiazolidin-4-one
5-(5-chloro-2,3-dimethoxybenzylidene)-2-[(4-chlorophenyl)imino]-3-methyl-1,3-thiazolidin-4-one
![5-[(5-Chloro-2,3-dimethoxyphenyl)methylidene]-2-(4-chlorophenyl)imino-3-methyl-1,3-thiazolidin-4-one molecular structure](/img/chemical/178661663.png)
Identifiers & Physical Properties
| CAS No. | 486442-71-1 |
|---|---|
| Molecular formula | C19H16Cl2N2O3S |
| Average molar mass | 423.3 g/mol |
| Monoisotopic mass | 422.0258689 g/mol |
| SMILES | COc1cc(Cl)cc(C=C2SC(=Nc3ccc(Cl)cc3)N(C)C2=O)c1OC |
| InChIKey | DFVKEVXXGNNGOV-UHFFFAOYSA-N |
| PubChem CID | 1228730 |
Chemical & Physical Properties
| XLogP | 5.4 |
|---|---|
| Topological polar surface area | 76.4 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 4 |
| Heavy atoms | 27 |
| Formal charge | 0 |
| Complexity | 608 |
| Boiling point | 554.769±60.00 °C(Press: 760.00 Torr)(predicted) |
| Density | 1.369±0.14 g/cm3(Temp: 25 °CPress: 760 Torr)(predicted) |
| pKa (acidity coefficient) | -2.735±0.20(predicted) |