Results for:
PubChem ID: 90246

S-methyl 3-methylbutanethioate

Compound Details

Synonymous names
S-Methyl 3-methylbutanethioate
23747-45-7
S-Methyl isovalerate
Butanethioic acid, 3-methyl-, S-methyl ester
Methanethiol isovalerate
S-Methyl 3-methylthiobutyrate
s-methyl thioisovalerate
UB23WZ59H0
Fema 3864
UNII-UB23WZ59H0
EINECS 245-863-6
?S-Methyl isovalerate
METHYLTHIOL ISOVALERATE
S-Methyl thio-3-methylbutyrate
SCHEMBL3506127
DTXSID3066928
FEMA NO. 3864
CHEBI:89436
AKOS006288153
NS00050814
S-METHYL 3-METHYLBUTANETHIOATE [FHFI]
G71382
3-METHYL-1-(METHYLSULFANYL)BUTAN-1-ONE
A816883
BUTYRIC ACID, 3-METHYLTHIO-, S-METHYL ESTER
Q27161632
Microorganism:

Yes

IUPAC nameS-methyl 3-methylbutanethioate
SMILESCC(C)CC(=O)SC
InchiInChI=1S/C6H12OS/c1-5(2)4-6(7)8-3/h5H,4H2,1-3H3
FormulaC6H12OS
PubChem ID90246
Molweight132.23
LogP1.9
Atoms8
Bonds3
H-bond Acceptor2
H-bond Donor0
Chemical Classificationsulfur compounds thioesters
CHEBI-ID89436
Supernatural-IDSN0231856

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaPseudomonas AeruginosaNANAFitzgerald et al. 2021
ProkaryotaCoraliitalea Coraliiisolate from the algal Chromera velia CCAP 1602/1Koteska et al. 2023
ProkaryotaBrevibacterium Linensn/aNASchulz and Dickschat 2007
ProkaryotaLactococcus Lactisn/aNASchulz and Dickschat 2007
ProkaryotaStreptomyces Albidoflavusn/aNASchulz and Dickschat 2007
ProkaryotaPsychrobacillus VulpisNANAToral et al. 2021
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaPseudomonas AeruginosaBHISPME/GC-MSno
ProkaryotaPseudomonas AeruginosaLBSPME/GC-MSno
ProkaryotaPseudomonas AeruginosaTSBSPME/GC-MSno
ProkaryotaCoraliitalea Coraliimarine broth agarOSSA/GC-MSno
ProkaryotaBrevibacterium Linensn/an/ano
ProkaryotaLactococcus Lactisn/an/ano
ProkaryotaStreptomyces Albidoflavusn/an/ano
ProkaryotaPsychrobacillus VulpisMOLPHS-SPME-GC/MSno
ProkaryotaPsychrobacillus VulpisSchaeffer’s growth (SG) mediumHS-SPME-GC/MSno
ProkaryotaPsychrobacillus Vulpistryptic soy agar (TSA, Panreac Applichem) mediumHS-SPME-GC/MSno