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

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ChEBI Name 5-(3-buten-1-ynyl)-2,2'-bithiophene
ChEBI ID CHEBI:2015
Definition A member of the class of 2,2'-bithiophenes that is 2,2'-bithiophene substituted by a 3-buten-1-ynyl group at position 5.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C12H8S2
Net Charge 0
Average Mass 216.32200
Monoisotopic Mass 216.00674
InChI InChI=1S/C12H8S2/c1-2-3-5-10-7-8-12(14-10)11-6-4-9-13-11/h2,4,6-9H,1H2
InChIKey GWAIEOFEEWQORO-UHFFFAOYSA-N
SMILES C=CC#Cc1ccc(s1)-c1cccs1
Roles Classification
Biological Role(s): plant metabolite
Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms.
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ChEBI Ontology
Outgoing 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 Sources
5-(3-Buten-1-ynyl)-2,2'-bithienyl KEGG COMPOUND
5-(3-Buten-1-ynyl)-2,2'-bithiophene KEGG COMPOUND
Manual Xrefs Databases
C00001274 KNApSAcK
C08397 KEGG COMPOUND
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Registry Numbers Types Sources
1134-61-8 CAS Registry Number ChemIDplus
139446 Beilstein Registry Number Beilstein
139446 Reaxys Registry Number Reaxys
Last Modified
13 October 2015