Results for:
PubChem ID: 61664

2-methylthiolan-3-one

Mass-Spectra

Compound Details

Synonymous names
13679-85-1
2-Methyltetrahydrothiophen-3-one
Dihydro-2-methyl-3(2H)-thiophenone
2-Methylthiolan-3-one
2-Methyldihydrothiophen-3(2H)-one
3(2H)-Thiophenone, dihydro-2-methyl-
2-Methyl-3-oxotetrahydrothiophene
FEMA No. 3512
Dihydro-2-methyl-3-thiophenone
2-Methyl-4,5-dihydro-3(2H)-thiophenone
TN0FKW9W4K
MFCD00078280
xI-Dihydro-2-methyl-3(2H)-thiophenone
2-Methyltetrahydrothiophene-3-one
blackberry thiophenone
2-Methyl-3-thiolanone
UNII-TN0FKW9W4K
2-Methyl-3-tetrahydrothiophenone
EINECS 237-183-3
Dihydro-2-methylthiophen-3(2H)-one
2-Methylthiolan-3-on
Thiolan-3-one, 2-methyl
SCHEMBL441187
2-METHYLTHIOPHAN-3-ONE
2-Methytetrahydrothiophen-3-one
CHEBI:87506
DTXSID60864428
2-methyl tetrahydrothiophene-3-one
2-Methyldihydro-3(2H)-thiophenone
AMY23233
AC7518
AKOS005207154
benzo[1,3]dioxol-5-yl-acetylchloride
Dihydro-3(2H)-thiophenone, 2-methyl
CS-W011228
FS-4547
Thiophen-3(2H)-one, dihydro-2-methyl
74015-70-6
SY003998
2-Methyltetrahydrothiophen-3-one, >=97%
4,5-dihydro-2-methyl-3(2H)-thiophenone
4,5-Dihydro-2-methylthiophen-3(2H)-one
DB-003629
M1839
NS00053564
EN300-99125
2-Methyltetrahydrothiophen-3-one, >=97%, FG
(+/-)-2-METHYLTETRAHYDROTHIOPHEN-3-ONE
2-METHYLTETRAHYDROTHIOPHEN-3-ONE [FHFI]
2-METHYLTETRAHYDROTHIOPHEN-3-ONE, (+/-)-
Q-100144
Q27159681
6694-77-5
Microorganism:

Yes

IUPAC name2-methylthiolan-3-one
SMILESCC1C(=O)CCS1
InchiInChI=1S/C5H8OS/c1-4-5(6)2-3-7-4/h4H,2-3H2,1H3
FormulaC5H8OS
PubChem ID61664
Molweight116.18
LogP0.8
Atoms7
Bonds0
H-bond Acceptor2
H-bond Donor0
Chemical Classificationheterocyclic compounds thioethers ketones sulfides sulfur compounds
CHEBI-ID87506
Supernatural-IDSN0454849

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaKlebsiella PneumoniaeNANARees et al. 2016a
ProkaryotaMycobacterium Bovisclinical isolate,abscess,bladder cancerMellors et al. 2017
ProkaryotaVibrio ParahaemolyticusChina Center of Industrial Culture collectionWang et al. 2018
ProkaryotaBacillus Tequilensisantifungal activity against the hyphae growth of Ceratocystis fimbriatarhizosphere soil of a sweet potato variety (Xushu-36) from Xuzhou Academy of Agricultural Sciences in China in 2016Xu et al. 2021
ProkaryotaBacillus Sp.antifungal effect on the growth of Alternaria alternata, Corynespora cassiicola and Stemphylium lycopersici (pathogens of tomato plants)NALópez et al. 2021
ProkaryotaStaphylococcus Xylosusn/aNASchulz and Dickschat 2007
EukaryotaCryptococcus NemorosusNANALjunggren et al. 2019
EukaryotaMetschnikowia LopburiensisNANALjunggren et al. 2019
EukaryotaMetschnikowia PulcherrimaNANALjunggren et al. 2019
EukaryotaMetschnikowia FructicolaNANALjunggren et al. 2019
EukaryotaSaccharomyces CerevisiaeNANAHarris et al. 2021
Bacillus AcidiproducensKoilybayeva et al. 2023
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaKlebsiella Pneumoniaehuman bloodSPME/GCxGC-MSno
ProkaryotaMycobacterium Bovis7H9 broth, Tween 80, glycerolTenaxGC,Chromosorb,HS-SPME, GC-MSno
ProkaryotaVibrio ParahaemolyticusSodium chloride brothSPME, GC-MSno
ProkaryotaBacillus TequilensisLB mediaHS-SPME/GC-MSno
ProkaryotaBacillus Sp.TYB mediaGC-MSno
ProkaryotaStaphylococcus Xylosusn/an/ano
EukaryotaCryptococcus Nemorosusliquid YPD mediumGC-MSno
EukaryotaMetschnikowia Lopburiensisliquid YPD mediumGC-MSno
EukaryotaMetschnikowia Pulcherrimaliquid YPD mediumGC-MSno
EukaryotaMetschnikowia Fructicolaliquid YPD mediumGC-MSno
EukaryotaSaccharomyces Cerevisiaemalt extract brothHS-SPME with GC-MSno
Bacillus Acidiproducensbacteriological agar (BA, 15 g/L), gelatin peptone (GP, 5 g/L), and meat extract (ME, 3 g/L)GC–MSno