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InChI=1S/CH4O/c1-2/h2H,1H3
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CHEBI:87547 -
S
-octyl ethanethioate
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ChEBI Name
S
-octyl ethanethioate
ChEBI ID
CHEBI:87547
ChEBI ASCII Name
S-octyl ethanethioate
Definition
A thioacetate ester of octane-1-thiol.
Stars
This entity has been manually annotated by the ChEBI Team.
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Formula
C10H20OS
Net Charge
0
Average Mass
188.33000
Monoisotopic Mass
188.12349
InChI
InChI=1S/C10H20OS/c1-3-4-5-6-7-8-9-12-10(2)11/h3-9H2,1-2H3
InChIKey
NQMNVUDCUZKJRL-UHFFFAOYSA-N
SMILES
CCCCCCCCSC(C)=O
Roles Classification
Biological Role
(s):
metabolite
Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
S
-octyl ethanethioate (
CHEBI:87547
)
has role
metabolite (
CHEBI:25212
)
S
-octyl ethanethioate (
CHEBI:87547
)
is a
thioacetate ester (
CHEBI:52477
)
IUPAC Name
S
-octyl ethanethioate
Synonyms
Sources
1-acetylthiooctane
ChEBI
S
-octyl thioacetate
ChEBI
thioacetic acid
S
-octyl ester
ChEBI
Registry Number
Type
Source
1754773
Reaxys Registry Number
Reaxys
Last Modified
18 August 2015