CHEBI:173592 - 2-Acetyl-3-methylthiophene

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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 2-Acetyl-3-methylthiophene
ChEBI ID CHEBI:173592
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C7H8OS
Net Charge 0
Average Mass 140.200
Monoisotopic Mass 140.02959
InChI InChI=1S/C7H8OS/c1-5-3-4-9-7(5)6(2)8/h3-4H,1-2H3
InChIKey YBJDKNXEWQSGEL-UHFFFAOYSA-N
SMILES S1C(=C(C=C1)C)C(=O)C
ChEBI Ontology
Outgoing 2-Acetyl-3-methylthiophene (CHEBI:173592) is a aromatic ketone (CHEBI:76224)
IUPAC Name
1-(3-methylthiophen-2-yl)ethanone
Manual Xrefs Databases
75477 ChemSpider
HMDB0041502 HMDB
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Registry Number Type Source
13679-72-6 CAS Registry Number ChemIDplus