Molecule ID: mol12726

SMILES: OC(O)=C1SCc2ccccc21

InChI: InChI=1S/C9H8O2S/c10-9(11)8-7-4-2-1-3-6(7)5-12-8/h1-4,10-11H,5H2

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
5.32 OCHEM -1 » -2
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization