EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

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

ChEBI IDCHEBI:166524
ChEBI Name5-Ethynyl-5'-(1-propynyl)-2,2'-bithiophene
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC13H8S2
Net Charge0
Average Mass228.341
Monoisotopic Mass228.00674
SMILESC#Cc1ccc(-c2ccc(C#CC)s2)s1
InChIInChI=1S/C13H8S2/c1-3-5-11-7-9-13(15-11)12-8-6-10(4-2)14-12/h2,6-9H,1H3
InChIKeyDZJGBWIIRBMCFS-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
154080ChemSpider
HMDB0029735HMDB
Registry NumbersSources
CAS:17257-07-7ChemIDplus