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CHEBI:33202 - 2-thiobarbituric acid

ChEBI IDCHEBI:33202
ChEBI Name2-thiobarbituric acid
Stars
DefinitionA barbiturate, the structure of which is that of barbituric acid in which the oxygen at C-2 is replaced by sulfur.
Last Modified7 March 2019
SubmitterKirill Degtyarenko
DownloadsMolfile
FormulaC4H4N2O2S
Net Charge0
Average Mass144.155
Monoisotopic Mass143.99935
SMILESO=C1CC(=O)NC(=S)N1
InChIInChI=1S/C4H4N2O2S/c7-2-1-3(8)6-4(9)5-2/h1H2,(H2,5,6,7,8,9)
InChIKeyRVBUGGBMJDPOST-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Roles:
allergen  A chemical compound, or part thereof, which causes the onset of an allergic reaction by interacting with any of the molecular pathways involved in an allergy.
GABA modulator  A substance that does not act as agonist or antagonist but does affect the gamma-aminobutyric acid receptor-ionophore complex. GABA-A receptors appear to have at least three allosteric sites at which modulators act: a site at which benzodiazepines act by increasing the opening frequency of gamma-aminobutyric acid-activated chloride channels; a site at which barbiturates act to prolong the duration of channel opening; and a site at which some steroids may act.
Applications:
reagent  A substance used in a chemical reaction to detect, measure, examine, or produce other substances.
GABA modulator  A substance that does not act as agonist or antagonist but does affect the gamma-aminobutyric acid receptor-ionophore complex. GABA-A receptors appear to have at least three allosteric sites at which modulators act: a site at which benzodiazepines act by increasing the opening frequency of gamma-aminobutyric acid-activated chloride channels; a site at which barbiturates act to prolong the duration of channel opening; and a site at which some steroids may act.
ChEBI Ontology
Outgoing Relation(s)
2-thiobarbituric acid (CHEBI:33202) has role allergen (CHEBI:50904)
2-thiobarbituric acid (CHEBI:33202) has role reagent (CHEBI:33893)
2-thiobarbituric acid (CHEBI:33202) is a barbiturates (CHEBI:22693)
Incoming Relation(s)
thiopental (CHEBI:102166) has functional parent 2-thiobarbituric acid (CHEBI:33202)
IUPAC Name 
2-sulfanylidenedihydropyrimidine-4,6(1H,5H)-dione
Synonyms  Source
thiobarbituric acidChemIDplus
2-thioxodihydropyrimidine-4,6(1H,5H)-dioneIUPAC
dihydro-2-thioxo-4,6(1H,5H)-pyrimidinedioneChemIDplus
Manual XrefsDatabases
Thiobarbituric_acidWikipedia
Registry NumbersSources
Gmelin:101333Gmelin
Reaxys:120663Reaxys
CAS:504-17-6ChemIDplus
Citations