2-[(4-Methylphenyl)thio]nicotinic acid (CHEBI:194903)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	2-[(4-Methylphenyl)thio]nicotinic acid

ChEBI ID	CHEBI:194903

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

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Formula

C13H11NO2S

Net Charge

Average Mass

245.300

Monoisotopic Mass

245.05105

InChI

InChI=1S/C13H11NO2S/c1-9-4-6-10(7-5-9)17-12-11(13(15)16)3-2-8-14-12/h2-8H,1H3,(H,15,16)

InChIKey

VEZNUKVMXCLWMM-UHFFFAOYSA-N

SMILES

S(C1=CC=C(C=C1)C)C=2N=CC=CC2C(O)=O

ChEBI Ontology
Outgoing	2-[(4-Methylphenyl)thio]nicotinic acid (CHEBI:194903) is a aryl sulfide (CHEBI:35683)

IUPAC Name

2-(4-methylphenyl)sulanylpyridine-3-carboxylic acid