Results for:
PubChem ID: 75515

S-methyl Hexanethioate

Mass-Spectra

Compound Details

Synonymous names
S-Methyl hexanethioate
2432-77-1
S-Methyl thiohexanoate
Methanethiol caproate
Hexanethioic acid, S-methyl ester
MC7G128ACI
UNII-MC7G128ACI
EINECS 219-410-8
S-methyl thiocaproate
S-Methyl hexanethioate #
SCHEMBL3506754
DTXSID1062417
FEMA NO. 3862
methyl thiohexanoate, AldrichCPR
FEMA 3862
CHEBI:173386
S-METHYL HEXANETHIOATE [FHFI]
AKOS006277831
1-(METHYLSULFANYL)HEXAN-1-ONE
DB-221832
NS00021918
Q27283845
QRL
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
LogP2.6
Atoms9
Bonds5
H-bond Acceptor2
H-bond Donor0
Chemical Classificationsulfur compounds thioesters
CHEBI-ID173386
Supernatural-IDSN0007817

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaClostridium Difficileoutbreak 2006 UKRees et al. 2016
ProkaryotaBrevibacterium Linensn/aNASchulz and Dickschat 2007
ProkaryotaLactococcus Lactisn/aNASchulz and Dickschat 2007
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaClostridium Difficilebrain heart infusionGCxGC-TOF-MSyes
ProkaryotaBrevibacterium Linensn/an/ano
ProkaryotaLactococcus Lactisn/an/ano