Results for:
PubChem ID: 75515

S-methyl Hexanethioate

Mass-Spectra

Compound Details

Synonymous names
Methanethiol caproate
AKGAHYLJHAOPKQ-UHFFFAOYSA-N
S-Methyl hexanethioate
methyl thiohexanoate, AldrichCPR
S-Methyl thiohexanoate
QRL
AC1L2OXC
S-Methyl hexanethioate #
AC1Q68RX
MC7G128ACI
U833
Hexanethioic acid, S-methyl ester
UNII-MC7G128ACI
S-(methyl thio) hexanoate
LP004199
FCH847782
DTXSID1062417
SCHEMBL3506754
ZINC1841229
ACM2432771
1-(METHYLSULFANYL)HEXAN-1-ONE
I09-1878
AKOS006277831
2432-77-1
EINECS 219-410-8
Microorganism:

Yes

IUPAC nameS-methyl hexanethioate
SMILESCCCCCC(=O)SC
InchiInChI=1S/C7H14OS/c1-3-4-5-6-7(8)9-2/h3-6H2,1-2H3
FormulaC7H14OS
PubChem ID75515
Molweight146.25
LogP2.71
Atoms23
Bonds22
H-bond Acceptor1
H-bond Donor0
Chemical ClassificationThioesters sulfur compounds

Microorganisms emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
BacteriaClostridium Difficileoutbreak 2006 UKRees et al 2016
BacteriaBrevibacterium Linensn/aSchulz and Dickschat, 2007
BacteriaLactococcus Lactisn/aSchulz and Dickschat, 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
BacteriaClostridium Difficilebrain heart infusionGCxGC-TOF-MSyes
BacteriaBrevibacterium Linensn/an/a
BacteriaLactococcus Lactisn/an/a