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CHEBI:194765 - 3-[(1,1-Diethylprop-2-ynyl)amino]thiophene-2-carboxylic acid

ChEBI IDCHEBI:194765
ChEBI Name3-[(1,1-Diethylprop-2-ynyl)amino]thiophene-2-carboxylic acid
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SubmitterMetaboLights
DownloadsMolfile
FormulaC12H15NO2S
Net Charge0
Average Mass237.324
Monoisotopic Mass237.08235
SMILESC#CC(CC)(CC)Nc1ccsc1C(=O)O
InChIInChI=1S/C12H15NO2S/c1-4-12(5-2,6-3)13-9-7-8-16-10(9)11(14)15/h1,7-8,13H,5-6H2,2-3H3,(H,14,15)
InChIKeyIJNZNXQLANOYJT-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)
3-[(1,1-Diethylprop-2-ynyl)amino]thiophene-2-carboxylic acid (CHEBI:194765) is a thiophenecarboxylic acid (CHEBI:48436)
IUPAC Name 
3-(3-ethylpent-1-yn-3-ylamino)thiophene-2-carboxylic acid
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