Results for:
PubChem ID: 62444

S-methyl Butanethioate

Mass-Spectra

Compound Details

Synonymous names	Methanethiol butyrate Methyl thiobutanoate Methyl thiolbutyrate GRLJIIJNZJVMGP-UHFFFAOYSA-N Methane n-thiolbutyrate Methanethiol n-butyrate S-Methyl butanethioate S-Methyl thiobutyrate Butanethioic acid,S-methyl ester S-Methyl butanethioate # Thiobutyric Acid S-Methyl Ester AC1L1X4T Methyl thiobutyrate (natural) BUTANETHIOIC ACID, S-METHYL ESTER ACMC-209gaw M1818 CTK4F3391 2P1E432MYZ SCHEMBL722981 S-Methyl thiobutanoate, 98% UNII-2P1E432MYZ ZINC409240 ZB013888 S-(methyl thio) butyrate DTXSID5047669 OR012310 CHEBI:89255 1-(methylsulfanyl)butan-1-one ACM2432511 AN-20806 ANW-25398 Methyl thiobutyrate, >=97%, FG FCH3464393 MFCD00009872 ZINC00409240 TC-114143 LS-179173 Q-100312 AKOS015950859 J-800454 FEMA No. 3310 Methyl thiobutyrate, natural, 98%, FG Butyric acid, thio-, S-methyl ester 2432-51-1 EINECS 219-407-1 MolPort-003-929-056
Microorganism:	Yes
IUPAC name	S-methyl butanethioate
SMILES	CCCC(=O)SC
Inchi	InChI=1S/C5H10OS/c1-3-4-5(6)7-2/h3-4H2,1-2H3
Formula	C5H10OS
PubChem ID	62444
Molweight	118.19
LogP	1.82
Atoms	17
Bonds	16
H-bond Acceptor	1
H-bond Donor	0
Chemical Classification	Thioesters sulfur compounds

mVOC Specific Details

MS-Links

MS-MS Spectrum 138249 MS-MS Spectrum 138251 MS-MS Spectrum 78002 MS-MS Spectrum 138250 MS-MS Spectrum 78000 MS-MS Spectrum 78001

Microorganisms emitting the compound

Kingdom Species Biological Function Origin/Habitat Reference Bacteria Alcaligenes Faecalis YMF3·00172 na na Su et al., 2016 Bacteria Bacillus Cereus YMF3·00019 na na Su et al., 2016 Bacteria Brevibacterium Epidermidis YMF3·00155 na na Su et al., 2016 Bacteria Clostridium Difficile outbreak 2006 UK Rees et al 2016 Bacteria Proteus Penneri YMF3·00016 na na Su et al., 2016 Bacteria Proteus Vulgaris Sp. na na Su et al., 2016 Bacteria Providencia Rettgeri YMF3·00150 na na Su et al., 2016 Bacteria Pseudochrobactrum Asaccharolyticum YMF3·00201 na na Su et al., 2016 Bacteria Pseudomonas Syringae S22 na phyllosphere of field-grown potato plants Hunziker et al., 2015 Bacteria AMI 386 na breathing zone of a waste collection worker Wilkins, 1996 Bacteria Streptomyces Griseus Subsp. Griseus DSM 40236 na soil Wilkins, 1996 Bacteria Thermomonospora Fusca DSM 43792 na soil Wilkins, 1996 Bacteria Achromobacter Xylosoxidans AF411019 Nematicidal activity cow dung XU et al., 2015 Bacteria Arthrobacter Nicotianae JQ071518 Nematicidal activity cow dung XU et al., 2015 Bacteria Brevibacterium Linens n/a Schulz and Dickschat, 2007 Bacteria Lactococcus Lactis n/a Schulz and Dickschat, 2007 Bacteria Proteus Hauseri JN092591 Nematicidal activity cow dung XU et al., 2015 Bacteria Pseudochrobactrum Saccharolyticum AM180484 Nematicidal activity cow dung XU et al., 2015 Bacteria Streptomyces Albidoflavus n/a Schulz and Dickschat, 2007 Bacteria Streptomyces Griseus n/a Schulz and Dickschat, 2007 Bacteria Thermomonospora Fusca n/a Schulz and Dickschat, 2007 Bacteria Wautersiella Falsenii AM238687 Nematicidal activity cow dung XU et al., 2015

Method

Kingdom Species Growth Medium Applied Method Verification Bacteria Alcaligenes Faecalis YMF3·00172 LB medium SPME-GC/MS No Bacteria Bacillus Cereus YMF3·00019 LB medium SPME-GC/MS No Bacteria Brevibacterium Epidermidis YMF3·00155 LB medium SPME-GC/MS No Bacteria Clostridium Difficile brain heart infusion GCxGC-TOF-MS yes Bacteria Proteus Penneri YMF3·00016 LB medium SPME-GC/MS No Bacteria Proteus Vulgaris Sp. LB medium SPME-GC/MS No Bacteria Providencia Rettgeri YMF3·00150 LB medium SPME-GC/MS No Bacteria Pseudochrobactrum Asaccharolyticum YMF3·00201 LB medium SPME-GC/MS No Bacteria Pseudomonas Syringae S22 LB medium GC/MS Yes Bacteria AMI 386 Nutrient agar CM3 + 50mg/l actidione GC/MS Bacteria Streptomyces Griseus Subsp. Griseus DSM 40236 Nutrient agar CM3 GC/MS Bacteria Thermomonospora Fusca DSM 43792 Nutrient agar CM3 GC/MS Bacteria Achromobacter Xylosoxidans AF411019 LB liquid SPME-GC/MS Bacteria Arthrobacter Nicotianae JQ071518 LB liquid SPME-GC/MS Bacteria Brevibacterium Linens n/a n/a Bacteria Lactococcus Lactis n/a n/a Bacteria Proteus Hauseri JN092591 LB liquid SPME-GC/MS Bacteria Pseudochrobactrum Saccharolyticum AM180484 LB liquid SPME-GC/MS Bacteria Streptomyces Albidoflavus n/a n/a Bacteria Streptomyces Griseus n/a n/a Bacteria Thermomonospora Fusca n/a n/a Bacteria Wautersiella Falsenii AM238687 LB liquid SPME-GC/MS