Molecule ID: 44229097

IUPAC Name: 2-(diaminomethylideneazaniumyl)ethanesulfinate

Description: The molecule is zwitterionic form of hypotaurocyamine having an anionic sulfinate group and a protonated guanidino group; major species at pH 7.3. It is a tautomer of a hypotaurocyamine.

SMILES: N=C(N)NCCS(=O)O

SELFIES: [N][=C][Branch1][C][N][N][C][C][S][=Branch1][C][=O][O]

InChI: InChI=1S/C3H9N3O2S/c4-3(5)6-1-2-9(7)8/h1-2H2,(H,7,8)(H4,4,5,6)

Molecular Properties:
- Polar Surface Area: 125.0 Ų
- LogP: -2.7