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CHEBI:8934 - (4-bromophenylsulfanyl)pyruvic acid

ChEBI IDCHEBI:8934
ChEBI Name(4-bromophenylsulfanyl)pyruvic acid
Stars
DefinitionA 2-oxo monocarboxylic acid comprising pyruvic acid having a 4-bromophenylsulfanyl group attached at the 3-position.
Last Modified18 March 2011
DownloadsMolfile
FormulaC9H7BrO3S
Net Charge0
Average Mass275.123
Monoisotopic Mass273.92993
SMILESO=C(O)C(=O)CSc1ccc(Br)cc1
InChIInChI=1S/C9H7BrO3S/c10-6-1-3-7(4-2-6)14-5-8(11)9(12)13/h1-4H,5H2,(H,12,13)
InChIKeyQJDFZNIKGFGPCR-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
(4-bromophenylsulfanyl)pyruvic acid (CHEBI:8934) has functional parent bromobenzene (CHEBI:3179)
(4-bromophenylsulfanyl)pyruvic acid (CHEBI:8934) has functional parent pyruvic acid (CHEBI:32816)
(4-bromophenylsulfanyl)pyruvic acid (CHEBI:8934) is a 2-oxo monocarboxylic acid (CHEBI:35910)
(4-bromophenylsulfanyl)pyruvic acid (CHEBI:8934) is a aryl sulfide (CHEBI:35683)
(4-bromophenylsulfanyl)pyruvic acid (CHEBI:8934) is a organobromine compound (CHEBI:37141)
(4-bromophenylsulfanyl)pyruvic acid (CHEBI:8934) is conjugate acid of (4-bromophenylsulfanyl)pyruvate (CHEBI:17468)
Incoming Relation(s)
(4-bromophenylsulfanyl)pyruvate (CHEBI:17468) is conjugate base of (4-bromophenylsulfanyl)pyruvic acid (CHEBI:8934)
IUPAC Name 
3-[(4-bromophenyl)sulfanyl]-2-oxopropanoic acid
Synonym  Source
S-(4-bromophenyl)mercaptopyruvic acidChEBI
Manual XrefsDatabases
C04264KEGG COMPOUND
Registry NumbersSources
Reaxys:3286397Reaxys