CHEBI:194776 - 2-(Ethylthio)nicotinic acid

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ChEBI Name 2-(Ethylthio)nicotinic acid
ChEBI ID CHEBI:194776
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C8H9NO2S
Net Charge 0
Average Mass 183.230
Monoisotopic Mass 183.03540
InChI InChI=1S/C8H9NO2S/c1-2-12-7-6(8(10)11)4-3-5-9-7/h3-5H,2H2,1H3,(H,10,11)
InChIKey LYHPPDODTUEXAN-UHFFFAOYSA-N
SMILES S(C=1N=CC=CC1C(O)=O)CC
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 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 Xref Database
514410 ChemSpider
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