Molecule ID: mol11145

SMILES: CCCSP(=O)(O)c1ccccc1

InChI: InChI=1S/C9H13O2PS/c1-2-8-13-12(10,11)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H,10,11)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization