Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-14 23:08:12 UTC
Update Date2022-08-31 06:24:09 UTC
Metabolite IDMMDBc0005596
Metabolite Identification
Common NamePyridine-2,6-dithiocarboxylic acid
Description6-(sulfanylcarbonyl)pyridine-2-carbothioic O-acid belongs to the class of organic compounds known as pyridinecarboxylic acids and derivatives. Pyridinecarboxylic acids and derivatives are compounds containing a pyridine ring bearing a carboxylic acid group or a derivative thereof. 6-(sulfanylcarbonyl)pyridine-2-carbothioic O-acid is a very strong basic compound (based on its pKa).
Structure
Synonyms
ValueSource
6-(Sulphanylcarbonyl)pyridine-2-carbothioic O-acidGenerator
2,6-PYRIDINEDICARBOTHIOateGenerator
Pyridine-2,6-bis(thiocarboxylate)MeSH
Pyridine-2,6-bis(thiocarboxylic acid)MeSH
Molecular FormulaC7H5NO2S2
Average Mass199.24
Monoisotopic Mass198.976170753
IUPAC Namepyridine-2,6-dicarbothioic diS-acid
Traditional Name2,6-pyridinedicarbothioic acid
CAS Registry NumberNot Available
SMILES
SC(=O)C1=CC=CC(=N1)C(S)=O
InChI Identifier
InChI=1S/C7H5NO2S2/c9-6(11)4-2-1-3-5(8-4)7(10)12/h1-3H,(H,9,11)(H,10,12)
InChI KeySSRIAMRLMUFTNV-UHFFFAOYSA-N