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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:141567 - 2-methylthiophene
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ChEBI Name
2-methylthiophene
ChEBI ID
CHEBI:141567
Definition
A member of the class of thiophenes that is thiophene in which the hydrogen atom at position 2 is substituted by a methyl group.
Stars
This entity has been manually annotated by the ChEBI Team.
Submitter
Mark Williams
Supplier Information
ChemicalBook:CB2386865
,
eMolecules:529183
,
ZINC000002034789
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Molfile
Formula
C5H6S
Net Charge
0
Average Mass
98.167
Monoisotopic Mass
98.01902
InChI
InChI=1S/C5H6S/c1-5-3-2-4-6-5/h2-4H,1H3
InChIKey
XQQBUAPQHNYYRS-UHFFFAOYSA-N
SMILES
CC1=CC=CS1
Roles Classification
Chemical Role
(s):
Maillard reaction product
Any thermal degradation product obtained as a result of a chemical reaction between an amino acid and a reducing sugar (Maillard reaction, a non-enzymatic browning procedure that usually imparts flavour to starch-based food products).
Biological Role
(s):
flavouring agent
A food additive that is used to added improve the taste or odour of a food.
Application
(s):
flavouring agent
A food additive that is used to added improve the taste or odour of a food.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
2-methylthiophene (
CHEBI:141567
)
has functional parent
thiophene (
CHEBI:30856
)
2-methylthiophene (
CHEBI:141567
)
has role
flavouring agent (
CHEBI:35617
)
2-methylthiophene (
CHEBI:141567
)
has role
Maillard reaction product (
CHEBI:77523
)
2-methylthiophene (
CHEBI:141567
)
is a
thiophenes (
CHEBI:26961
)
2-methylthiophene (
CHEBI:141567
)
is a
volatile organic compound (
CHEBI:134179
)
IUPAC Name
2-methylthiophene
Synonyms
Sources
2-methylthiacyclopentadiene
NIST Chemistry WebBook
2-Methylthiophen
IUPAC
2-thiotolene
ChEBI
Manual Xrefs
Databases
21168808
ChemSpider
FDB011118
FooDB
HMDB0033118
HMDB
View more database links
Registry Numbers
Types
Sources
103734
Reaxys Registry Number
Reaxys
554-14-3
CAS Registry Number
NIST Chemistry WebBook
554-14-3
CAS Registry Number
ChemIDplus
Citation
Last Modified
18 June 2019