Molecule ID: mol20947
SMILES: NS(=O)(=O)c1ccc(SCCCCO)s1
InChI: InChI=1S/C8H13NO3S3/c9-15(11,12)8-4-3-7(14-8)13-6-2-1-5-10/h3-4,10H,1-2,5-6H2,(H2,9,11,12)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.50 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 9.50 | Baltruschat ChEMBL | 0 » -1 |