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

Default Structure
ChEBI IDCHEBI:177491
ChEBI NameO-propan-2-yl hexanethioate
Stars
ASCII NameO-propan-2-yl hexanethioate
Last Modified11 May 2023
SubmitterMetaboLights
DownloadsMolfile
FormulaC9H18OS
Net Charge0
Average Mass174.309
Monoisotopic Mass174.10784
SMILESCCCCCC(=S)OC(C)C
InChIInChI=1S/C9H18OS/c1-4-5-6-7-9(11)10-8(2)3/h8H,4-7H2,1-3H3
InChIKeyMRPKGPCTAVJDHR-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
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 XrefsDatabases
31149374ChemSpider