CHEBI:173386 - S-Methyl hexanethioate

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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 S-Methyl hexanethioate
ChEBI ID CHEBI:173386
Stars This entity has been manually annotated by a third party.
Submitter MetaboLights
Supplier Information
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Formula C7H14OS
Net Charge 0
Average Mass 146.250
Monoisotopic Mass 146.07654
InChI InChI=1S/C7H14OS/c1-3-4-5-6-7(8)9-2/h3-6H2,1-2H3
InChIKey AKGAHYLJHAOPKQ-UHFFFAOYSA-N
SMILES S(C(=O)CCCCC)C
ChEBI Ontology
Outgoing S-Methyl hexanethioate (CHEBI:173386) is a thioester (CHEBI:51277)
IUPAC Name
S-methyl hexanethioate
Manual Xrefs Databases
68041 ChemSpider
HMDB0039465 HMDB
QRL PDBeChem
View more database links
Registry Number Type Source
2432-77-1 CAS Registry Number ChemIDplus