4-{[2,2'-bithiophene]-5-yl}-1-chlorobut-3-yn-2-ol (CHEBI:184939)

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This entity has been annotated by a third party. If you would like more information added to this entry, please contact ChEBI via email or GitHub.

ChEBI Name	4-{[2,2'-bithiophene]-5-yl}-1-chlorobut-3-yn-2-ol

ChEBI ID	CHEBI:184939

Stars	This entity has been manually annotated by a third party.

Submitter	MetaboLights

Supplier Information

Download	Molfile XML SDF

Formula

C12H9ClOS2

Net Charge

Average Mass

268.770

Monoisotopic Mass

267.97834

InChI

InChI=1S/C12H9ClOS2/c13-8-9(14)3-4-10-5-6-12(16-10)11-2-1-7-15-11/h1-2,5-7,9,14H,8H2

InChIKey

GFYWABYZRGXGNU-UHFFFAOYSA-N

SMILES

ClCC(O)C#CC=1SC(C=2SC=CC2)=CC1

Metabolite of Species	Details
Mus musculus (NCBI:txid10090)	Found in feces (BTO:0000440). of strain C57BL/6 Mouse [NCIT:C14424] See: MetaboLights Study
Bos taurus (NCBI:txid9913)	Found in spermatozoon (BTO:0001277). of strain Holstein [LBO:0000132] See: MetaboLights Study

ChEBI Ontology
Outgoing	4-{[2,2'-bithiophene]-5-yl}-1-chlorobut-3-yn-2-ol (CHEBI:184939) is a ring assembly (CHEBI:36820) 4-{[2,2'-bithiophene]-5-yl}-1-chlorobut-3-yn-2-ol (CHEBI:184939) is a thiophenes (CHEBI:26961)

IUPAC Name

1-chloro-4-(5-thiophen-2-ylthiophen-2-yl)but-3-yn-2-ol