Molecule ID: mol11585
SMILES: O=C(O)CSC(SCC(=O)O)c1ccccc1
InChI: InChI=1S/C11H12O4S2/c12-9(13)6-16-11(17-7-10(14)15)8-4-2-1-3-5-8/h1-5,11H,6-7H2,(H,12,13)(H,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.09 | IUPAC digitized pKa | -1 » -2 |
| 3.28 | IUPAC digitized pKa | -1 » -2 |
| 3.31 | IUPAC digitized pKa | -1 » -2 |
| 3.98 | IUPAC digitized pKa | 0 » -1 |
| 4.06 | IUPAC digitized pKa | 0 » -1 |
| 4.13 | IUPAC digitized pKa | 0 » -1 |