Molecule ID: mol20984
SMILES: NS(=O)(=O)c1ccc(SCCCO)c(Cl)c1
InChI: InChI=1S/C9H12ClNO3S2/c10-8-6-7(16(11,13)14)2-3-9(8)15-5-1-4-12/h2-3,6,12H,1,4-5H2,(H2,11,13,14)
| Macro pKa value | Dataset | Assigned charge state transition |
|---|---|---|
| 9.45 | Organic Oxygen Acids and Nitrogen Bases | 0 » -1 |
| 9.45 | Baltruschat ChEMBL | 0 » -1 |