Molecule ID: mol453

SMILES: O=c1[nH]cc(S)c(=O)[nH]1

InChI: InChI=1S/C4H4N2O2S/c7-3-2(9)1-5-4(8)6-3/h1,9H,(H2,5,6,7,8)

Experimental Macro pKa Values

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Macro pKa value Dataset Assigned charge state transition
5.30 Hunt 0 » -1
5.30 Hunt 0 » -1
5.30 AttenGpKa training set 0 » -1
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Charge States and Microspecies Visualization