Molecule ID: mol8977

SMILES: NCCS(=O)O

InChI: InChI=1S/C2H7NO2S/c3-1-2-6(4)5/h1-3H2,(H,4,5)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.16 IUPAC digitized pKa 1 » 0
2.16 QSARToolbox 1 » 0
9.56 IUPAC digitized pKa 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization