Molecule ID: mol9466
SMILES: O=S(=O)(O)CCOCC(S)CS
InChI: InChI=1S/C5H12O4S3/c6-12(7,8)2-1-9-3-5(11)4-10/h5,10-11H,1-4H2,(H,6,7,8)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 8.82 | IUPAC digitized pKa | -1 » -2 |
| 8.91 | IUPAC digitized pKa | -1 » -2 |
| 9.86 | QSARToolbox | -2 » -3 |
| 11.35 | IUPAC digitized pKa | -2 » -3 |
| 11.48 | IUPAC digitized pKa | -2 » -3 |