Molecule ID: mol10722

SMILES: CCCCCC(N)CNC(=S)S

InChI: InChI=1S/C8H18N2S2/c1-2-3-4-5-7(9)6-10-8(11)12/h7H,2-6,9H2,1H3,(H2,10,11,12)

Experimental Macro pKa Values

Download: TSV JSON SMILES SDF
Macro pKa value Dataset Assigned charge state transition
2.80 IUPAC digitized pKa 1 » 0
2.95 IUPAC digitized pKa 1 » 0
Download Microspecies: MICRO SMILES MICRO SDF

Charge States and Microspecies Visualization