Molecule ID: mol10252
SMILES: O=C(O)CCSCSCCC(=O)O
InChI: InChI=1S/C7H12O4S2/c8-6(9)1-3-12-5-13-4-2-7(10)11/h1-5H2,(H,8,9)(H,10,11)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.94 | IUPAC digitized pKa | -1 » -2 |
| 3.97 | IUPAC digitized pKa | -1 » -2 |
| 4.08 | IUPAC digitized pKa | -1 » -2 |
| 4.69 | IUPAC digitized pKa | 0 » -1 |
| 4.75 | IUPAC digitized pKa | 0 » -1 |
| 4.86 | IUPAC digitized pKa | 0 » -1 |