Molecule ID: mol9920
SMILES: O=C(NCCS(=O)(=O)O)C(=S)NCCS(=O)(=O)O
InChI: InChI=1S/C6H12N2O7S3/c9-5(7-1-3-17(10,11)12)6(16)8-2-4-18(13,14)15/h1-4H2,(H,7,9)(H,8,16)(H,10,11,12)(H,13,14,15)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 11.97 | IUPAC digitized pKa | -2 » -3 |
| 11.97 | QSARToolbox | -2 » -3 |