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CHEBI:104585 - 2-(2-hydroxyphenyl)-4,5-dihydrothiazole-4-carboxylic acid

ChEBI IDCHEBI:104585
ChEBI Name2-(2-hydroxyphenyl)-4,5-dihydrothiazole-4-carboxylic acid
Stars
DefinitionA monocarboxylic acid consisting of 2-(2-hydroxyphenyl)-4,5-dihydrothiazole having a carboxy group at the 4-position.
Last Modified3 December 2014
DownloadsMolfile
FormulaC10H9NO3S
Net Charge0
Average Mass223.253
Monoisotopic Mass223.03031
SMILESO=C(O)C1CSC(c2ccccc2O)=N1
InChIInChI=1S/C10H9NO3S/c12-8-4-2-1-3-6(8)9-11-7(5-15-9)10(13)14/h1-4,7,12H,5H2,(H,13,14)
InChIKeyCECDPVOEINSAQG-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)
2-(2-hydroxyphenyl)-4,5-dihydrothiazole-4-carboxylic acid (CHEBI:104585) is a imidothioate (CHEBI:83991)
2-(2-hydroxyphenyl)-4,5-dihydrothiazole-4-carboxylic acid (CHEBI:104585) is a monocarboxylic acid (CHEBI:25384)
Incoming Relation(s)
2'-hydroxyphenyl-2-thiazoline-4-oyl group (CHEBI:60433) is substituent group from 2-(2-hydroxyphenyl)-4,5-dihydrothiazole-4-carboxylic acid (CHEBI:104585)
IUPAC Name 
2-(2-hydroxyphenyl)-4,5-dihydro-1,3-thiazole-4-carboxylic acid
Synonyms  Source
Dihydroaeruginoic acidChemIDplus
2'-(2-Hydroxyphenyl)-2'-thiazoline-4'-carboxylic acidChemIDplus
Registry NumbersSources
Beilstein:748521Beilstein
Beilstein:1988927Beilstein
CAS:49608-51-7ChemIDplus