Molecule ID: mol1362

SMILES: NCCc1cscn1

InChI: InChI=1S/C5H8N2S/c6-2-1-5-3-8-4-7-5/h3-4H,1-2,6H2

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
1.68 IUPAC digitized pKa 2 » 1
1.68 AttenGpKa training set 2 » 1
9.48 IUPAC digitized pKa 1 » 0
9.48 Hunt 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization