Molecule ID: mol9381

SMILES: Cn1ccc(=S)[nH]c1=S

InChI: InChI=1S/C5H6N2S2/c1-7-3-2-4(8)6-5(7)9/h2-3H,1H3,(H,6,8,9)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization