Molecule ID: 7098628

IUPAC Name: 2-(diaminomethylideneazaniumyl)ethanesulfonate

Description: The molecule is zwitterionic form of taurocyamine arising from transfer of a proton from the sulfo to the guanidino group; major species at pH 7.3. It is a tautomer of a taurocyamine.

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

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

InChI: InChI=1S/C3H9N3O3S/c4-3(5)6-1-2-10(7,8)9/h1-2H2,(H4,4,5,6)(H,7,8,9)

Molecular Properties:
- Polar Surface Area: 132.0 Ų
- LogP: -2.5