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InChI=1S/CH4O/c1-2/h2H,1H3
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> Main
CHEBI:87506 - 2-methylthiolan-3-one
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ChEBI Name
2-methylthiolan-3-one
ChEBI ID
CHEBI:87506
Definition
A member of the class of tetrahydrothiophenes that is thiolane substituted by a methyl group at position 2 and an oxo group at position 3 respectively.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C5H8OS
Net Charge
0
Average Mass
116.18100
Monoisotopic Mass
116.02959
InChI
InChI=1S/C5H8OS/c1-4-5(6)2-3-7-4/h4H,2-3H2,1H3
InChIKey
YMZZPMVKABUEBL-UHFFFAOYSA-N
SMILES
CC1SCCC1=O
Roles Classification
Biological Role
(s):
flavouring agent
A food additive that is used to added improve the taste or odour of a food.
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
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-methylthiolan-3-one (
CHEBI:87506
)
has parent hydride
tetrahydrothiophene (
CHEBI:48458
)
2-methylthiolan-3-one (
CHEBI:87506
)
has role
flavouring agent (
CHEBI:35617
)
2-methylthiolan-3-one (
CHEBI:87506
)
has role
metabolite (
CHEBI:25212
)
2-methylthiolan-3-one (
CHEBI:87506
)
is a
cyclic ketone (
CHEBI:3992
)
2-methylthiolan-3-one (
CHEBI:87506
)
is a
tetrahydrothiophenes (
CHEBI:48224
)
IUPAC Name
2-methylthiolan-3-one
Synonym
Source
2-methyltetrahydrothiophen-3-one
ChEBI
Manual Xref
Database
HMDB0038556
HMDB
View more database links
Registry Numbers
Types
Sources
106443
Reaxys Registry Number
Reaxys
74015-70-6
CAS Registry Number
NIST Chemistry WebBook
74015-70-6
CAS Registry Number
ChemIDplus
Citations
Types
Sources
20680979
PubMed citation
Europe PMC
26230142
PubMed citation
Europe PMC
Last Modified
17 August 2015