Results for:
PubChem ID: 80024

S-methyl Benzenecarbothioate

Mass-Spectra

Compound Details

Synonymous names
S-Methyl benzenecarbothioate
(S)-Methyl thiobenzoate
S-Methyl thiobenzoate
5925-68-8
S-methyl benzothioate
S-Ethyl benzothioate
Thiobenzoic acid S-methyl ester
Benzenecarbothioic acid, S-methyl ester
methyl thiobenzoate
Benzoic acid, thio-, S-methyl ester
TV2YT5FVUQ
UNII-TV2YT5FVUQ
EINECS 227-656-2
S-methylbenzothioate
thiobenzoic acid methyl ester
METHANETHIOL, BENZOATE
SCHEMBL812709
S-Methyl benzenecarbothioate #
thiobenzoic acid methylthioester
FEMA NO. 3857
DTXSID20207978
CHEBI:169501
S-METHYL BENZOTHIOATE [FHFI]
AKOS024340621
MCULE-9793142271
(METHYLSULFANYL)(PHENYL)METHANONE
NS00022458
Q27290409
Microorganism:

Yes

IUPAC nameS-methyl benzenecarbothioate
SMILESCSC(=O)C1=CC=CC=C1
InchiInChI=1S/C8H8OS/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3
FormulaC8H8OS
PubChem ID80024
Molweight152.22
LogP2.3
Atoms10
Bonds2
H-bond Acceptor2
H-bond Donor0
Chemical Classificationbenzenoids sulfur compounds thioesters aromatic compounds
CHEBI-ID169501
Supernatural-IDSN0332778

Species emitting the compound
KingdomSpeciesBiological FunctionOrigin/HabitatReference
ProkaryotaProteus MirabilisNANAJünger et al. 2012
ProkaryotaStreptomyces Caviscabiesn/aNASchulz and Dickschat 2007
ProkaryotaStreptomyces Sp.n/aNADickschat et al. 2005_2
Method
KingdomSpeciesGrowth MediumApplied MethodVerification
ProkaryotaProteus MirabilisColumbia sheep bloodTD/GC-MS and MCC-IMSno
ProkaryotaStreptomyces Caviscabiesn/an/ano
ProkaryotaStreptomyces Sp.n/an/ano