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CHEBI:194776 - 2-(Ethylthio)nicotinic acid

Default Structure
ChEBI IDCHEBI:194776
ChEBI Name2-(Ethylthio)nicotinic acid
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SubmitterMetaboLights
DownloadsMolfile
FormulaC8H9NO2S
Net Charge0
Average Mass183.232
Monoisotopic Mass183.03540
SMILESCCSc1ncccc1C(=O)O
InChIInChI=1S/C8H9NO2S/c1-2-12-7-6(8(10)11)4-3-5-9-7/h3-5H,2H2,1H3,(H,10,11)
InChIKeyLYHPPDODTUEXAN-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-(Ethylthio)nicotinic acid (CHEBI:194776) is a aromatic carboxylic acid (CHEBI:33859)
2-(Ethylthio)nicotinic acid (CHEBI:194776) is a pyridines (CHEBI:26421)
IUPAC Name 
2-ethylsulanylpyridine-3-carboxylic acid
Manual XrefsDatabases
514410ChemSpider