Molecule ID: mol11106

SMILES: CCCCC(CC)CNC(=S)S

InChI: InChI=1S/C9H19NS2/c1-3-5-6-8(4-2)7-10-9(11)12/h8H,3-7H2,1-2H3,(H2,10,11,12)

Experimental Macro pKa Values

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

Charge States and Microspecies Visualization