Results for:
PubChem ID: 521869

S-methyl Propanethioate

Compound Details

Synonymous names	S-Methyl propanethioate 5925-75-7 s-methyl thiopropionate Methyl THIOPROPIONATE S-Methyl thiopropanoate FEMA No. 4172 3WP1B49B1P S-Methyl propanethioate [FHFI] Propanethioic acid, S-methyl ester Propionic acid, thio-, S-methyl ester UNII-3WP1B49B1P S-Methyl methylthiopropionate S-METHYL PROPANTHIOATE SCHEMBL1245998 1-(methylsulfanyl)propan-1-one CHEBI:179441 DTXSID801020172 MFCD00040063 AKOS006272057 M3279 Q-100686 Q27258146
Microorganism:	Yes
IUPAC name	S-methyl propanethioate
SMILES	CCC(=O)SC
Inchi	InChI=1S/C4H8OS/c1-3-4(5)6-2/h3H2,1-2H3
Formula	C4H8OS
PubChem ID	521869
Molweight	104.17
LogP	1.1
Atoms	6
Bonds	2
H-bond Acceptor	2
H-bond Donor	0
Chemical Classification	sulfur compounds thioesters
CHEBI-ID	179441
Supernatural-ID	SN0006443

mVOC Specific Details

Boiling Point	Degree Reference 120 median
MS-Links	MS-MS Spectrum 82968 MS-MS Spectrum 144470 MS-MS Spectrum 82969 MS-MS Spectrum 144469 MS-MS Spectrum 144468 MS-MS Spectrum 82970

Species emitting the compound

Kingdom Species Biological Function Origin/Habitat Reference Prokaryota Clostridium Difficile outbreak 2006 UK Rees et al. 2016 Prokaryota Chryseobacterium Sp. na na Tyc et al. 2015 Prokaryota Janthinobacterium Sp. na na Tyc et al. 2015 Prokaryota Brevibacterium Linens n/a NA Schulz and Dickschat 2007 Prokaryota Lactococcus Lactis n/a NA Schulz and Dickschat 2007 Prokaryota Loktanella Sp. n/a NA Schulz and Dickschat 2007 Prokaryota Streptomyces Albidoflavus n/a NA Schulz and Dickschat 2007 Prokaryota Loktanella Sp. n/a NA Dickschat et al. 2005_4 Prokaryota Streptomyces Sp. na breathing zone of a waste collection worker Wilkins 1996 Prokaryota Psychrobacillus Vulpis NA NA Toral et al. 2021 Microbacterium Ballot et al. 2023

Method

Kingdom Species Growth Medium Applied Method Verification Prokaryota Clostridium Difficile brain heart infusion GCxGC-TOF-MS yes Prokaryota Chryseobacterium Sp. Tryptic soy broth agar GC/MS-Q-TOF no Prokaryota Janthinobacterium Sp. Tryptic soy broth agar GC/MS-Q-TOF no Prokaryota Brevibacterium Linens n/a n/a no Prokaryota Lactococcus Lactis n/a n/a no Prokaryota Loktanella Sp. n/a n/a no Prokaryota Streptomyces Albidoflavus n/a n/a no Prokaryota Streptomyces Sp. Nutrient agar CM3 + 50mg/l actidione 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 Microbacterium tryptone soy (TS medium; Carl Roth, Karlsruhe, Germany) GC-QQQ-MS no