CHEBI:87611 - 3-formylthiophene

ChEBI IDCHEBI:87611
ChEBI Name3-formylthiophene
Stars
DefinitionAn aldehyde that is thiophene substituted by a formyl group at position 3.
Last Modified26 September 2023
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FormulaC5H4OS
Net Charge0
Average Mass112.153
Monoisotopic Mass111.99829
SMILES[H]C(=O)c1ccsc1
InChIInChI=1S/C5H4OS/c6-3-5-1-2-7-4-5/h1-4H
InChIKeyRBIGKSZIQCTIJF-UHFFFAOYSA-N
Roles Classification
Biological Role:
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
ChEBI Ontology
Outgoing Relation(s)
3-formylthiophene (CHEBI:87611) has parent hydride thiophene (CHEBI:30856)
3-formylthiophene (CHEBI:87611) has role metabolite (CHEBI:25212)
3-formylthiophene (CHEBI:87611) is a aldehyde (CHEBI:17478)
3-formylthiophene (CHEBI:87611) is a thiophenes (CHEBI:26961)
IUPAC Name 
thiophene-3-carbaldehyde
Synonym  Source
3-thiophenecarboxaldehydeChEBI
UniProt Name  Source
3-formylthiopheneUniProt
Registry NumbersSources
Reaxys:105889Reaxys
CAS:498-62-4ChemIDplus
CAS:498-62-4NIST Chemistry WebBook
Citations