HuagongsheHuagongshe Chemistry Print Report · For research reference only
Methyl thieno[3,2-C]pyridine-4-carboxylate
Methyl thieno[3,2-c]pyridine-4-carboxylate · Thieno[3,2-c]pyridine-4-carboxylic acid, methyl ester · Methyl 4,5-Dihydrothieno[3,2-c]Pyridine-4-Carboxylate
![Methyl thieno[3,2-C]pyridine-4-carboxylate molecular structure](/img/chemical/178627770.png)
Identifiers & Physical Properties
| CAS No. | 1140239-89-9 |
|---|---|
| Molecular formula | C9H7NO2S |
| Average molar mass | 193.22 g/mol |
| Monoisotopic mass | 193.01974964 g/mol |
| SMILES | COC(=O)c1nccc2sccc12 |
| InChIKey | NMSKZJTWWOFBSY-UHFFFAOYSA-N |
| PubChem CID | 129915061 |
Chemical & Physical Properties
| XLogP | 2.1 |
|---|---|
| Topological polar surface area | 67.4 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 2 |
| Heavy atoms | 13 |
| Formal charge | 0 |
| Complexity | 210 |
| Boiling point | 348.8±22.0 °C(Predicted) |
| Density | 1.340±0.06 g/cm3(Predicted) |
| pKa (acidity coefficient) | 3.22±0.40(Predicted) |