Molecule ID: mol31132

SMILES: CCSC(O)=C(C)C

InChI: InChI=1S/C6H12OS/c1-4-8-6(7)5(2)3/h7H,4H2,1-3H3

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
7.80 AttenGpKa training set 0 » -1
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization