HuagongsheHuagongshe Chemistry Print Report · For research reference only
[(7,7-Dioxo-5,6-dihydrothieno[2,3-b]thiopyran-4-ylidene)amino] 3-chlorobenzoate
4H-Thieno[2,3-b]thiopyran-4-one, 5,6-dihydro-, O-(3-chlorobenzoyl)oxime, 7,7-dioxide · 4-([(3-Chlorobenzoyl)oxy]imino)-3,4-dihydro-1lambda6-thieno[2,3-b]thiopyran-1,1(2H)-dione · [(4E)-1,1-dioxo-2H,3H,4H-1lambda6-thieno[2,3-b]thiopyran-4-ylidene]amino 3-chlorobenzoate
![[(7,7-Dioxo-5,6-dihydrothieno[2,3-b]thiopyran-4-ylidene)amino] 3-chlorobenzoate molecular structure](/img/chemical/178917153.png)
Identifiers & Physical Properties
| CAS No. | 338776-81-1 |
|---|---|
| Molecular formula | C14H10ClNO4S2 |
| Average molar mass | 355.8 g/mol |
| SMILES | O=C(ON=C1CCS(=O)(=O)c2sccc21)c1cccc(Cl)c1 |
| InChIKey | VVDANDBNRWALBQ-UHFFFAOYSA-N |
Chemical & Physical Properties
| XLogP | 3.3 |
|---|---|
| Topological polar surface area | 109 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 6 |
| Rotatable bonds | 3 |
| Heavy atoms | 22 |
| Formal charge | 0 |
| Complexity | 572 |
| Boiling point | 581.6±60.0 °C(Predicted) |
| Density | 1.58±0.1 g/cm3(Predicted) |