HuagongsheHuagongshe Chemistry Print Report · For research reference only
5-Methylpyridine-2-sulfonic acid
Clazosentan Impurity 10 · Clazosentan Impurity 72 · 5-Methylpyridine-2-sulfonic acid · 2-Pyridinesulfonic acid, 5-methyl-

Identifiers & Physical Properties
| CAS No. | 733746-65-1 |
|---|---|
| Molecular formula | C6H7NO3S |
| Average molar mass | 173.19 g/mol |
| Monoisotopic mass | 173.01466408 g/mol |
| SMILES | Cc1ccc(S(=O)(=O)O)nc1 |
| InChIKey | XYDHSCZUHCZWHJ-UHFFFAOYSA-N |
| PubChem CID | 12110543 |
| DTXSID | DTXSID60477754 |
Chemical & Physical Properties
| XLogP | 0.3 |
|---|---|
| Topological polar surface area | 75.6 |
| Hydrogen bond donors | 1 |
| Hydrogen bond acceptors | 4 |
| Rotatable bonds | 1 |
| Heavy atoms | 11 |
| Formal charge | 0 |
| Complexity | 218 |
| Density | 1.422±0.06 g/cm3(Predicted) |
| pKa (acidity coefficient) | -2.75±0.50(Predicted) |