CHEBI:177491 - O-propan-2-yl hexanethioate

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ChEBI Name O-propan-2-yl hexanethioate
ChEBI ID CHEBI:177491
ChEBI ASCII Name O-propan-2-yl hexanethioate
Stars This entity has been manually annotated by the ChEBI Team.
Submitter MetaboLights
Supplier Information
Download Molfile XML SDF
Formula C9H18OS
Net Charge 0
Average Mass 174.300
Monoisotopic Mass 174.10784
InChI InChI=1S/C9H18OS/c1-4-5-6-7-9(11)10-8(2)3/h8H,4-7H2,1-3H3
InChIKey MRPKGPCTAVJDHR-UHFFFAOYSA-N
SMILES CCCCCC(=S)OC(C)C
ChEBI Ontology
Outgoing O-propan-2-yl hexanethioate (CHEBI:177491) has functional parent propan-2-ol (CHEBI:17824)
O-propan-2-yl hexanethioate (CHEBI:177491) is a thionoester (CHEBI:51278)
IUPAC Name
O-propan-2-yl hexanethioate
Manual Xref Database
31149374 ChemSpider
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Last Modified
11 May 2023