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CHEBI:169501 - S-Methyl benzenecarbothioate

ChEBI IDCHEBI:169501
ChEBI NameS-Methyl benzenecarbothioate
Stars
SubmitterMetaboLights
DownloadsMolfile
FormulaC8H8OS
Net Charge0
Average Mass152.218
Monoisotopic Mass152.02959
SMILESCSC(=O)c1ccccc1
InChIInChI=1S/C8H8OS/c1-10-8(9)7-5-3-2-4-6-7/h2-6H,1H3
InChIKeyRQVWTMCUTHKGCM-UHFFFAOYSA-N
Species of MetaboliteComponentSourceComments
Malus domestica (ncbitaxon:3750) exocarp (BTO:0000733) MetaboLights (MTBLS2384) Strain: Malus x domestica Borkh. cv. Ruixue
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
S-Methyl benzenecarbothioate (CHEBI:169501) is a benzoic acids (CHEBI:22723)
IUPAC Name 
S-methyl benzenecarbothioate
Manual XrefsDatabases
72278ChemSpider
HMDB0029694HMDB
Registry NumbersSources
CAS:5925-68-8ChemIDplus