Molecule ID: mol11584
SMILES: CC(SC(C(=O)O)c1ccccc1)C(=O)O
InChI: InChI=1S/C11H12O4S/c1-7(10(12)13)16-9(11(14)15)8-5-3-2-4-6-8/h2-7,9H,1H3,(H,12,13)(H,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 2.94 | IUPAC digitized pKa | 0 » -1 |
| 4.75 | IUPAC digitized pKa | -1 » -2 |