HuagongsheHuagongshe Chemistry Print Report · For research reference only
2-Chlorosulfonylthiophene-3-carboxylic acid methyl ester
Identifiers & Physical Properties
| Molecular formula | C6H5ClO4S2 |
|---|---|
| Average molar mass | 240.7 g/mol |
| Monoisotopic mass | 239.9317787 g/mol |
| SMILES | COC(=O)c1ccsc1S(=O)(=O)Cl |
| InChIKey | QVFDAOAJMMCUGI-UHFFFAOYSA-N |
| PubChem CID | 16639903 |
Chemical & Physical Properties
| XLogP | 1.8 |
|---|---|
| Topological polar surface area | 97.1 |
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 5 |
| Rotatable bonds | 3 |
| Heavy atoms | 13 |
| Formal charge | 0 |
| Complexity | 294 |