CHEBI:166524 - 5-Ethynyl-5'-(1-propynyl)-2,2'-bithiophene

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ChEBI Name 5-Ethynyl-5'-(1-propynyl)-2,2'-bithiophene
ChEBI ID CHEBI:166524
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C13H8S2
Net Charge 0
Average Mass 228.330
Monoisotopic Mass 228.00674
InChI InChI=1S/C13H8S2/c1-3-5-11-7-9-13(15-11)12-8-6-10(4-2)14-12/h2,6-9H,1H3
InChIKey DZJGBWIIRBMCFS-UHFFFAOYSA-N
SMILES S1C(C=2SC(=CC2)C#C)=CC=C1C#CC
ChEBI Ontology
Outgoing 5-Ethynyl-5'-(1-propynyl)-2,2'-bithiophene (CHEBI:166524) is a ring assembly (CHEBI:36820)
5-Ethynyl-5'-(1-propynyl)-2,2'-bithiophene (CHEBI:166524) is a thiophenes (CHEBI:26961)
IUPAC Name
2-ethynyl-5-(5-prop-1-ynylthiophen-2-yl)thiophene
Manual Xrefs Databases
154080 ChemSpider
HMDB0029735 HMDB
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Registry Number Type Source
17257-07-7 CAS Registry Number ChemIDplus