Molecule ID: 24830990

IUPAC Name: 2,5-dihydroxy-1,4-dithiane-2,5-dicarboxylic acid

Description: The molecule is a member of the class of dithianes that is 1,4-dithiane-2,5-dicarboxylic acid in which the hydrogens at positions 2 and 5 have been replaced by hydroxy groups. Sulfanegen is a prodrug for 3-mercaptopyruvic acid and is an experimental antidote for cyanide poisoning. It has a role as a prodrug and an antidote to cyanide poisoning. It is a monothiohemiketal, a dicarboxylic acid and a member of dithianes.

SMILES: O=C(O)C1(O)CSC(O)(C(=O)O)CS1

SELFIES: [O][=C][Branch1][C][O][C][Branch1][C][O][C][S][C][Branch1][C][O][Branch1][=Branch1][C][=Branch1][C][=O][O][C][S][Ring1][O]

InChI: InChI=1S/C6H8O6S2/c7-3(8)5(11)1-13-6(12,2-14-5)4(9)10/h11-12H,1-2H2,(H,7,8)(H,9,10)

Molecular Properties:
- Polar Surface Area: 166.0 Ų
- LogP: -1.0