HuagongsheHuagongshe Chemistry Print Report · For research reference only
4-Sulfothiophene-3-carboxylic acid
Identifiers & Physical Properties
| CAS No. | 59337-83-6 |
|---|---|
| Molecular formula | C5H4O5S2 |
| Average molar mass | 208.2 g/mol |
| Monoisotopic mass | 207.95001557 g/mol |
| SMILES | O=C(O)c1cscc1S(=O)(=O)O |
| InChIKey | BSLGMUKWYRKFDT-UHFFFAOYSA-N |
| PubChem CID | 16639917 |
| DTXSID | DTXSID501298041 |
Chemical & Physical Properties
| XLogP | -0.1 |
|---|---|
| Topological polar surface area | 128 |
| Hydrogen bond donors | 2 |
| Hydrogen bond acceptors | 6 |
| Rotatable bonds | 2 |
| Heavy atoms | 12 |
| Formal charge | 0 |
| Complexity | 277 |