Molecule ID: mol11884
SMILES: O=C(O)CCSC(SCCC(=O)O)c1ccccc1
InChI: InChI=1S/C13H16O4S2/c14-11(15)6-8-18-13(19-9-7-12(16)17)10-4-2-1-3-5-10/h1-5,13H,6-9H2,(H,14,15)(H,16,17)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 3.95 | IUPAC digitized pKa | -1 » -2 |
| 3.98 | IUPAC digitized pKa | -1 » -2 |
| 4.73 | IUPAC digitized pKa | 0 » -1 |
| 4.76 | IUPAC digitized pKa | 0 » -1 |