2-Amino-3-Cyano-4-Methyl-5-Carbmethoxy Thiophene (CHEBI:189395)

EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:189395 - 2-Amino-3-Cyano-4-Methyl-5-Carbmethoxy Thiophene

Take structure to advanced search

ChEBI ID	CHEBI:189395
ChEBI Name	2-Amino-3-Cyano-4-Methyl-5-Carbmethoxy Thiophene
Stars
Submitter	MetaboLights
Downloads	Molfile

Formula	C8H8N2O2S
Net Charge	0
Average Mass	196.231
Monoisotopic Mass	196.03065
SMILES	COC(=O)c1sc(N)c(C#N)c1C
InChI	InChI=1S/C8H8N2O2S/c1-4-5(3-9)7(10)13-6(4)8(11)12-2/h10H2,1-2H3
InChIKey	PDDIXJQTRLVRCG-UHFFFAOYSA-N

Species of Metabolite	Component	Source	Comments
Arabidopsis thaliana (ncbitaxon:3702)	leaf (BTO:0000713)	MetaboLights (MTBLS3997)

Roles Classification

Bronsted base A molecular entity capable of accepting a hydron from a donor (Brønsted acid).

ChEBI Ontology

Outgoing Relation(s)
	2-Amino-3-Cyano-4-Methyl-5-Carbmethoxy Thiophene (CHEBI:189395) is a aromatic amine (CHEBI:33860)
	2-Amino-3-Cyano-4-Methyl-5-Carbmethoxy Thiophene (CHEBI:189395) is a thiophenes (CHEBI:26961)

IUPAC Name
methyl 5-amino-4-cyano-3-methylthiophene-2-carboxylate

Manual Xrefs	Databases
518878	ChemSpider