3,4-dimethylthiophene (CHEBI:89511)

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ChEBI Name	3,4-dimethylthiophene

ChEBI ID	CHEBI:89511

Definition	A thiophene that is substituted by methyl groups at positions 3 and 4.

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information	ChemicalBook:CB0763426, eMolecules:33622, ZINC000002383464

Download	Molfile XML SDF

Formula

C6H8S

Net Charge

Average Mass

112.190

Monoisotopic Mass

112.03467

InChI

InChI=1S/C6H8S/c1-5-3-7-4-6(5)2/h3-4H,1-2H3

InChIKey

GPSFYJDZKSRMKZ-UHFFFAOYSA-N

SMILES

CC1=CSC=C1C

Metabolite of Species	Details
Allium atroviolaceum (NCBI:txid165604)	See: PubMed
Glycine max (NCBI:txid3847)	See: PubMed
Toona sinensis (NCBI:txid443222)	See: DOI
Allium cepa (NCBI:txid4679)	Found in bulb (BTO:0000159). See: PubMed
Allium sativum (NCBI:txid4682)	See: PubMed
Homo sapiens (NCBI:txid9606)	Found in urine (BTO:0001419). See: PubMed

Roles Classification
Biological Role(s):	flavouring agent A food additive that is used to added improve the taste or odour of a food. plant metabolite Any eukaryotic metabolite produced during a metabolic reaction in plants, the kingdom that include flowering plants, conifers and other gymnosperms. human urinary metabolite Any metabolite (endogenous or exogenous) found in human urine samples.

Application(s):	flavouring agent A food additive that is used to added improve the taste or odour of a food.

ChEBI Ontology
Outgoing	3,4-dimethylthiophene (CHEBI:89511) has role flavouring agent (CHEBI:35617) 3,4-dimethylthiophene (CHEBI:89511) has role human urinary metabolite (CHEBI:84087) 3,4-dimethylthiophene (CHEBI:89511) has role plant metabolite (CHEBI:76924) 3,4-dimethylthiophene (CHEBI:89511) is a thiophenes (CHEBI:26961)

IUPAC Name

3,4-dimethylthiophene

Citations

Last Modified

10 February 2022