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PubChem ID: 73750
S-methyl Ethanethioate
Compound Details
Synonymous names
Methylthioacetate
Methyl thiolacetate
Methanethiol acetate
methyl ethanethioate
S-METHYLTHIOACETATE
OATSQCXMYKYFQO-UHFFFAOYSA-N
S-Methyl ethanethioate
S-Methyl thioacetate
AC1L2KFM
S-Methyl thioacetate, AldrichCPR
S-Methyl ethanethioate #
Thioacetic acid S-methyl ester
Ethanethioic acid, methyl ester
AC1Q68RR
ACMC-1BTZ5
PF2D4MWX79
KSC493A2H
Ethanethioic acid, S-methyl ester
UNII-PF2D4MWX79
M2286
CTK3J3023
CH3C(O)SCH3
FCH918358
OR031401
OR224946
OR224947
DTXSID3073264
ZINC2004049
CHEBI:51280
CJ-07327
1-(methylsulfanyl)ethan-1-one
AB1006061
AN-49402
CJ-30959
ZINC02004049
MFCD00014989
Ethanethioic acid,S-methyl ester (9CI)
RT-001199
Q-100182
I09-0174
AKOS006229807
FT-0659567
Acetic acid, thio-, S-methyl ester
S-Methyl thioacetate, natural, >=96%, FG
1534-08-3
EINECS 216-252-1
MolPort-006-113-372
InChI=1/C3H6OS/c1-3(4)5-2/h1-2H
Microorganism:
Yes
IUPAC name
S-methyl ethanethioate
SMILES
CC(=O)SC
Inchi
InChI=1S/C3H6OS/c1-3(4)5-2/h1-2H3
Formula
C
3
H
6
OS
PubChem ID
73750
Molweight
90.14
LogP
0.68
Atoms
11
Bonds
10
H-bond Acceptor
1
H-bond Donor
0
Chemical Classification
Thioesters
Ester
sulfur compounds
mVOC Specific Details
MS-Links
MS-MS Spectrum 132934
MS-MS Spectrum 132935
MS-MS Spectrum 132933
MS-MS Spectrum 73704
MS-MS Spectrum 73705
MS-MS Spectrum 73706
Microorganisms emitting the compound
Kingdom
Species
Biological Function
Origin/Habitat
Reference
Bacteria
Ralstonia Solanacearum
na
na
Spraker et al., 2014
Bacteria
Streptomyces Albidoflavus AMI 246
n/a
Schoeller et al., 2002
Bacteria
Streptomyces Albus IFO 13014
n/a
Schoeller et al., 2002
Bacteria
Streptomyces Albus Subsp. Pathocidicus IFO 13812
n/a
Schoeller et al., 2002
Bacteria
Streptomyces Coelicolor DSM 40233
n/a
Schoeller et al., 2002
Bacteria
Streptomyces Diastatochromogenes ETH 18822
n/a
Schoeller et al., 2002
Bacteria
Streptomyces Griseus ATCC 23345
n/a
Schoeller et al., 2002
Bacteria
Streptomyces Griseus IFO 13849
n/a
Schoeller et al., 2002
Bacteria
Streptomyces Hirsutus ETH 1666
n/a
Schoeller et al., 2002
Bacteria
Streptomyces Rishiriensis AMI 224
n/a
Schoeller et al., 2002
Bacteria
Streptomyces Thermoviolaceus IFO 12382
n/a
Schoeller et al., 2002
Bacteria
Chryseobacterium Sp. AD48
na
na
Tyc et al., 2015
Bacteria
Janthinobacterium Sp. AD80
na
na
Tyc et al., 2015
Bacteria
Pseudomonas Chlororaphis 450
na
Rhizosphere of maize, Kiev region, Ukraine
Popova et al., 2014
Bacteria
Clostridium Difficile
outbreak 2006 UK
Rees et al 2016
Bacteria
AMI 386
na
breathing zone of a waste collection worker
Wilkins, 1996
Bacteria
Brevibacterium Linens
n/a
Schulz and Dickschat, 2007
Bacteria
Collimonas Fungivorans Ter331
n/a
Garbeva et al., 2013
Bacteria
Collimonas Pratensis TER91
na
rhizosphere of Marram grass in sandy dune soils, Netherlands
Garbeva et al., 2014
Bacteria
Lactococcus Lactis
n/a
Schulz and Dickschat, 2007
Bacteria
Serratia Plymuthica PRI-2C
na
maize rhizosphere, Netherlands
Garbeva et al., 2014
Bacteria
Streptomyces Albidoflavus
n/a
Schulz and Dickschat, 2007
Bacteria
Streptomyces Griseus Subsp. Griseus DSM 40236
na
soil
Wilkins, 1996
Bacteria
Streptomyces Spp.
n/a
Schulz and Dickschat, 2007
Bacteria
Thermoactinomyces Vulgaris DSM 43016
na
soil
Wilkins, 1996
Bacteria
Clostridium Difficile R002
na
stool specimens, from patients infected with clostridium difficile
Kuppusami et al., 2015
Bacteria
Clostridium Difficile R005
na
stool specimens, from patients infected with clostridium difficile
Kuppusami et al., 2015
Bacteria
Clostridium Difficile R013
na
stool specimens, from patients infected with clostridium difficile
Kuppusami et al., 2015
Bacteria
Clostridium Difficile R014/R020
na
stool specimens, from patients infected with clostridium difficile
Kuppusami et al., 2015
Bacteria
Clostridium Difficile R026
na
stool specimens, from patients infected with clostridium difficile
Kuppusami et al., 2015
Bacteria
Clostridium Difficile R027
na
stool specimens, from patients infected with clostridium difficile
Kuppusami et al., 2015
Bacteria
Clostridium Difficile R078
na
stool specimens, from patients infected with clostridium difficile
Kuppusami et al., 2015
Bacteria
Clostridium Difficile R087
na
stool specimens, from patients infected with clostridium difficile
Kuppusami et al., 2015
Bacteria
Clostridium Difficile R107
na
stool specimens, from patients infected with clostridium difficile
Kuppusami et al., 2015
Method
Kingdom
Species
Growth Medium
Applied Method
Verification
Bacteria
Ralstonia Solanacearum
Casamino Acid Peptone Glucose agar
SPME-GC/MS
No
Bacteria
Streptomyces Albidoflavus AMI 246
Emmerson's yeast starch agar
Headspace trapping, GC-FID/GC-MS
Bacteria
Streptomyces Albus IFO 13014
Emmerson's yeast starch agar
Headspace trapping, GC-FID/GC-MS
Bacteria
Streptomyces Albus Subsp. Pathocidicus IFO 13812
Emmerson's yeast starch agar
Headspace trapping, GC-FID/GC-MS
Bacteria
Streptomyces Coelicolor DSM 40233
Emmerson's yeast starch agar
Headspace trapping, GC-FID/GC-MS
Bacteria
Streptomyces Diastatochromogenes ETH 18822
Emmerson's yeast starch agar
Headspace trapping, GC-FID/GC-MS
Bacteria
Streptomyces Griseus ATCC 23345
Emmerson's yeast starch agar
Headspace trapping, GC-FID/GC-MS
Bacteria
Streptomyces Griseus IFO 13849
n/a
n/a
Bacteria
Streptomyces Hirsutus ETH 1666
Emmerson's yeast starch agar
Headspace trapping, GC-FID/GC-MS
Bacteria
Streptomyces Rishiriensis AMI 224
Emmerson's yeast starch agar
Headspace trapping, GC-FID/GC-MS
Bacteria
Streptomyces Thermoviolaceus IFO 12382
Emmerson's yeast starch agar
Headspace trapping, GC-FID/GC-MS
Bacteria
Chryseobacterium Sp. AD48
Tryptic soy broth agar
GC/MS-Q-TOF
No
Bacteria
Janthinobacterium Sp. AD80
Tryptic soy broth agar
GC/MS-Q-TOF
No
Bacteria
Pseudomonas Chlororaphis 450
LB medium
SPME-GC/MS
No
Bacteria
Clostridium Difficile
brain heart infusion
GCxGC-TOF-MS
yes
Bacteria
AMI 386
Nutrient agar CM3 + 50mg/l actidione
GC/MS
Bacteria
Brevibacterium Linens
n/a
n/a
Bacteria
Collimonas Fungivorans Ter331
Headspace trapping/GC-MS
Bacteria
Collimonas Pratensis TER91
sand containing artificial root exudates
GC/MS
No
Bacteria
Lactococcus Lactis
n/a
n/a
Bacteria
Serratia Plymuthica PRI-2C
sand containing artificial root exudates
GC/MS
No
Bacteria
Streptomyces Albidoflavus
n/a
n/a
Bacteria
Streptomyces Griseus Subsp. Griseus DSM 40236
Nutrient agar CM3
GC/MS
Bacteria
Streptomyces Spp.
n/a
n/a
Bacteria
Thermoactinomyces Vulgaris DSM 43016
Nutrient agar CM3
GC/MS
Bacteria
Clostridium Difficile R002
brain heart infusion agar with 7% horse blood
PTR-ToF-MS
No
Bacteria
Clostridium Difficile R005
brain heart infusion agar with 7% horse blood
PTR-ToF-MS
No
Bacteria
Clostridium Difficile R013
brain heart infusion agar with 7% horse blood
PTR-ToF-MS
No
Bacteria
Clostridium Difficile R014/R020
brain heart infusion agar with 7% horse blood
PTR-ToF-MS
No
Bacteria
Clostridium Difficile R026
brain heart infusion agar with 7% horse blood
PTR-ToF-MS
No
Bacteria
Clostridium Difficile R027
brain heart infusion agar with 7% horse blood
PTR-ToF-MS
No
Bacteria
Clostridium Difficile R078
brain heart infusion agar with 7% horse blood
PTR-ToF-MS
No
Bacteria
Clostridium Difficile R087
brain heart infusion agar with 7% horse blood
PTR-ToF-MS
No
Bacteria
Clostridium Difficile R107
brain heart infusion agar with 7% horse blood
PTR-ToF-MS
No