4-Cyano-5-methylsulfanylthiophene-2-carboxylic acid (CHEBI:194697)

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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	4-Cyano-5-methylsulfanylthiophene-2-carboxylic acid

ChEBI ID	CHEBI:194697

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

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C7H5NO2S2

Net Charge

Average Mass

199.240

Monoisotopic Mass

198.97617

InChI

InChI=1S/C7H5NO2S2/c1-11-7-4(3-8)2-5(12-7)6(9)10/h2H,1H3,(H,9,10)

InChIKey

YRDBBAGWMJGPKF-UHFFFAOYSA-N

SMILES

S1C(SC)=C(C=C1C(O)=O)C#N

Roles Classification
Chemical Role(s):	Bronsted acid A molecular entity capable of donating a hydron to an acceptor (Bronsted base). (via oxoacid )

ChEBI Ontology
Outgoing	4-Cyano-5-methylsulfanylthiophene-2-carboxylic acid (CHEBI:194697) is a thiophenecarboxylic acid (CHEBI:48436)

IUPAC Name

4-cyano-5-methylsulanylthiophene-2-carboxylic acid