Results for:
PubChem ID: 73750

S-methyl Ethanethioate

Compound Details

Synonymous names	S-Methyl thioacetate 1534-08-3 S-Methyl ethanethioate Ethanethioic acid, S-methyl ester Methylthioacetate Methanethiol acetate Thioacetic acid S-methyl ester S-METHYLTHIOACETATE Methyl thiolacetate methyl ethanethioate CH3C(O)SCH3 Acetic acid, thio-, S-methyl ester PF2D4MWX79 1-(methylsulfanyl)ethan-1-one Ethanethioic acid, methyl ester UNII-PF2D4MWX79 AcSMe EINECS 216-252-1 S-Methyl ethanethioate # S-METHYLTHIOACETIC ACID DTXSID3073264 FEMA NO. 3876 CHEBI:51280 FEMA 3876 S-Methyl thioacetate, AldrichCPR S-METHYL THIOACETATE [FHFI] MFCD00014989 AKOS006229807 CS-0154991 M2286 NS00021690 S-Methyl thioacetate, natural, >=96%, FG D82067 InChI=1/C3H6OS/c1-3(4)5-2/h1-2H EN300-7016730 Q-100182 Q27104783
Microorganism:	Yes
IUPAC name	S-methyl ethanethioate
SMILES	CC(=O)SC
Inchi	InChI=1S/C3H6OS/c1-3(4)5-2/h1-2H3
Formula	C3H6OS
PubChem ID	73750
Molweight	90.15
LogP	0.7
Atoms	5
Bonds	1
H-bond Acceptor	2
H-bond Donor	0
Chemical Classification	thioesters sulfur compounds
CHEBI-ID	51280
Supernatural-ID	SN0260357

mVOC Specific Details

Boiling Point	Degree Reference 95 median
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

Species emitting the compound

Kingdom Species Biological Function Origin/Habitat Reference Prokaryota Stenotrophomonas Rhizophila NA NA Shestivska et al. 2015 Prokaryota Stenotrophomonas Maltophilia NA NA Shestivska et al. 2015 Eukaryota Candida Albicans NA NA Fitzgerald et al. 2022 Prokaryota Escherichia Coli NA NA Fitzgerald et al. 2021 Prokaryota Pseudomonas Aeruginosa NA NA Fitzgerald et al. 2021 Prokaryota Staphylococcus Aureus NA NA Fitzgerald et al. 2021 Prokaryota Pseudomonas Aeruginosa NA NA Bean et al. 2012 Prokaryota Pseudomonas Aeruginosa NA NA Neerincx et al. 2016 Prokaryota Enterobacter Cloacae NA Lawal et al. 2018 Prokaryota Pseudomonas Fluorescens 0 Medicago spp. plant rhizospheres Hernández-León et al. 2015 Prokaryota Pseudomonas Sp. antifungal activity against Thielaviopsis ethacetica mycelial growth Brazilian Biorenewables National Laboratory – LNBR/CNPEM Microorganism Collection, Campinas, SP; isolatedfrom soil and roots of highly productive sugarcane-producing regions; Brazil Freitas et al. 2022 Prokaryota Ralstonia Solanacearum na na Spraker et al. 2014 Prokaryota Streptomyces Albidoflavus n/a NA Schöller et al. 2002 Prokaryota Streptomyces Rishiriensis n/a NA Schöller et al. 2002 Prokaryota Streptomyces Albus n/a NA Schöller et al. 2002 Prokaryota Streptomyces Coelicolor n/a NA Schöller et al. 2002 Prokaryota Streptomyces Diastatochromogenes n/a NA Schöller et al. 2002 Prokaryota Streptomyces Griseus n/a NA Schöller et al. 2002 Prokaryota Streptomyces Hirsutus n/a NA Schöller et al. 2002 Prokaryota Streptomyces Thermoviolaceus n/a NA Schöller et al. 2002 Prokaryota Pseudomonas Chlororaphis na Rhizosphere of maize, Kiev region, Ukraine Popova et al. 2014 Prokaryota Clostridium Difficile outbreak 2006 UK Rees et al. 2016 Prokaryota Brevibacterium Linens n/a NA Schulz and Dickschat 2007 Prokaryota Lactococcus Lactis n/a NA Schulz and Dickschat 2007 Prokaryota Streptomyces Sp. n/a NA Schulz and Dickschat 2007 Prokaryota Streptomyces Albidoflavus n/a NA Schulz and Dickschat 2007 Prokaryota Collimonas Fungivorans n/a NA Garbeva et al. 2014 Prokaryota Thermoactinomyces Vulgaris na soil Wilkins 1996 Prokaryota Streptomyces Griseus na soil Wilkins 1996 Prokaryota Streptomyces Sp. na breathing zone of a waste collection worker Wilkins 1996 Prokaryota Serratia Plymuthica na maize rhizosphere, Netherlands Garbeva et al. 2014 Prokaryota Collimonas Pratensis na rhizosphere of Marram grass in sandy dune soils, Netherlands Garbeva et al. 2014 Prokaryota Clostridium Difficile na stool specimens, from patients infected with clostridium difficile Kuppusami et al. 2015 Prokaryota Achromobacter Sp. NA NA Almeida et al. 2022 Prokaryota Peribacillus Sp. NA NA Toral et al. 2021 Prokaryota Psychrobacillus Vulpis NA NA Toral et al. 2021

Method

Kingdom Species Growth Medium Applied Method Verification Prokaryota Stenotrophomonas Rhizophila MHB SIFT-MS no Prokaryota Stenotrophomonas Maltophilia MHB SIFT-MS no Eukaryota Candida Albicans TSB SPME/GC-MS no Eukaryota Candida Albicans YPD SPME/GC-MS no Prokaryota Escherichia Coli LB SPME/GC-MS no Prokaryota Escherichia Coli BHI SPME/GC-MS no Prokaryota Escherichia Coli TSB SPME/GC-MS no Prokaryota Pseudomonas Aeruginosa BHI SPME/GC-MS no Prokaryota Pseudomonas Aeruginosa LB SPME/GC-MS no Prokaryota Pseudomonas Aeruginosa TSB SPME/GC-MS no Prokaryota Staphylococcus Aureus BHI SPME/GC-MS no Prokaryota Staphylococcus Aureus TSB SPME/GC-MS no Prokaryota Staphylococcus Aureus LB SPME/GC-MS no Prokaryota Pseudomonas Aeruginosa lysogeny broth SPME/GCxGC-MS no Prokaryota Pseudomonas Aeruginosa Brain Heart Infusion TD/GC-MS no Prokaryota Enterobacter Cloacae Levine EMB agar (LEA) (Fluka Analytical, UK) GC-MS no Prokaryota Pseudomonas Fluorescens Nutrient Agar SPME-GC-MS no Prokaryota Pseudomonas Sp. LB media HS-SPME/GC-MS no Prokaryota Pseudomonas Sp. LB media, DYGS media HS-SPME/GC-MS no Prokaryota Ralstonia Solanacearum Casamino Acid Peptone Glucose agar SPME-GC/MS no Prokaryota Streptomyces Albidoflavus Emmerson's yeast starch agar Headspace trapping, GC-FID/GC-MS no Prokaryota Streptomyces Rishiriensis Emmerson's yeast starch agar Headspace trapping, GC-FID/GC-MS no Prokaryota Streptomyces Albus Emmerson's yeast starch agar Headspace trapping, GC-FID/GC-MS no Prokaryota Streptomyces Coelicolor Emmerson's yeast starch agar Headspace trapping, GC-FID/GC-MS no Prokaryota Streptomyces Diastatochromogenes Emmerson's yeast starch agar Headspace trapping, GC-FID/GC-MS no Prokaryota Streptomyces Griseus Emmerson's yeast starch agar Headspace trapping, GC-FID/GC-MS no Prokaryota Streptomyces Hirsutus Emmerson's yeast starch agar Headspace trapping, GC-FID/GC-MS no Prokaryota Streptomyces Thermoviolaceus Emmerson's yeast starch agar Headspace trapping, GC-FID/GC-MS no Prokaryota Streptomyces Griseus n/a n/a no Prokaryota Pseudomonas Chlororaphis LB medium SPME-GC/MS no Prokaryota Clostridium Difficile brain heart infusion GCxGC-TOF-MS yes Prokaryota Brevibacterium Linens n/a n/a no Prokaryota Lactococcus Lactis n/a n/a no Prokaryota Streptomyces Sp. n/a n/a no Prokaryota Streptomyces Albidoflavus n/a n/a no Prokaryota Collimonas Fungivorans Headspace trapping/GC-MS no Prokaryota Thermoactinomyces Vulgaris Nutrient agar CM3 GC/MS no Prokaryota Streptomyces Griseus Nutrient agar CM3 GC/MS no Prokaryota Streptomyces Sp. Nutrient agar CM3 + 50mg/l actidione GC/MS no Prokaryota Serratia Plymuthica sand containing artificial root exudates GC/MS no Prokaryota Collimonas Pratensis sand containing artificial root exudates GC/MS no Prokaryota Clostridium Difficile brain heart infusion agar with 7% horse blood PTR-ToF-MS no Prokaryota Achromobacter Sp. LB broth supplemented with cryoprotectant solution (25 g L−1 gelatin, 50 g L−1 lactose, 10 g L−1 peptone, and 250 g L−1 glycerol) SPME with gas chromatograph (Agilent 7890A, Agilent Technologies) connected to a mass spectrometer (Pegasus® HT TOFMS, LECO Corporation) no Prokaryota Peribacillus Sp. tryptic soy agar (TSA, Panreac Applichem) medium HS-SPME-GC/MS no Prokaryota Psychrobacillus Vulpis MOLP HS-SPME-GC/MS no Prokaryota Psychrobacillus Vulpis Schaeffer’s growth (SG) medium HS-SPME-GC/MS no Prokaryota Psychrobacillus Vulpis tryptic soy agar (TSA, Panreac Applichem) medium HS-SPME-GC/MS no