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CHEBI:2015 - 5-(3-buten-1-ynyl)-2,2'-bithiophene

ChEBI IDCHEBI:2015
ChEBI Name5-(3-buten-1-ynyl)-2,2'-bithiophene
Stars
DefinitionA member of the class of 2,2'-bithiophenes that is 2,2'-bithiophene substituted by a 3-buten-1-ynyl group at position 5.
Last Modified13 October 2015
DownloadsMolfile
FormulaC12H8S2
Net Charge0
Average Mass216.330
Monoisotopic Mass216.00674
SMILESC=CC#Cc1ccc(-c2cccs2)s1
InChIInChI=1S/C12H8S2/c1-2-3-5-10-7-8-12(14-10)11-6-4-9-13-11/h2,4,6-9H,1H2
InChIKeyGWAIEOFEEWQORO-UHFFFAOYSA-N
Roles Classification
Biological Role:
plant metabolite  Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
ChEBI Ontology
Outgoing Relation(s)
5-(3-buten-1-ynyl)-2,2'-bithiophene (CHEBI:2015) has role plant metabolite (CHEBI:76924)
5-(3-buten-1-ynyl)-2,2'-bithiophene (CHEBI:2015) is a 2,2'-bithiophenes (CHEBI:19281)
5-(3-buten-1-ynyl)-2,2'-bithiophene (CHEBI:2015) is a enyne (CHEBI:59831)
IUPAC Name 
5-but-3-en-1-yn-1-yl-2,2'-bithiophene
Synonyms  Source
5-(3-Buten-1-ynyl)-2,2'-bithienylKEGG COMPOUND
5-(3-Buten-1-ynyl)-2,2'-bithiopheneKEGG COMPOUND
Manual XrefsDatabases
C08397KEGG COMPOUND
C00001274KNApSAcK
Registry NumbersSources
Reaxys:139446Reaxys
CAS:1134-61-8KEGG COMPOUND
CAS:1134-61-8ChemIDplus