Molecule ID: mol9510

SMILES: CNC(=S)OC(C)C

InChI: InChI=1S/C5H11NOS/c1-4(2)7-5(8)6-3/h4H,1-3H3,(H,6,8)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization