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CHEBI:83542 - methiocarb-sulfoxide

ChEBI IDCHEBI:83542
ChEBI Namemethiocarb-sulfoxide
Stars
DefinitionA carbamate ester obtained by the formal condensation of the phenolic group of 3,5-dimethyl-4-(methylsulfinyl)phenol with the carboxy group of methylcarbamic acid. It is a metabolite of the pesticide methiocarb.
Last Modified19 November 2014
DownloadsMolfile
FormulaC11H15NO3S
Net Charge0
Average Mass241.312
Monoisotopic Mass241.07726
SMILESCNC(=O)Oc1cc(C)c(S(C)=O)c(C)c1
InChIInChI=1S/C11H15NO3S/c1-7-5-9(15-11(13)12-3)6-8(2)10(7)16(4)14/h5-6H,1-4H3,(H,12,13)
InChIKeyFNCMBMZOZQAWJA-UHFFFAOYSA-N
Roles Classification
Biological Role:
marine xenobiotic metabolite  Any metabolite produced by metabolism of a xenobiotic compound in marine macro- and microorganisms.
ChEBI Ontology
Outgoing Relation(s)
methiocarb-sulfoxide (CHEBI:83542) has role marine xenobiotic metabolite (CHEBI:83399)
methiocarb-sulfoxide (CHEBI:83542) is a carbamate ester (CHEBI:23003)
methiocarb-sulfoxide (CHEBI:83542) is a sulfoxide (CHEBI:22063)
IUPAC Name 
3,5-dimethyl-4-(methylsulfinyl)phenyl methylcarbamate
Synonym  Source
Mesurol sulfoxideNIST Chemistry WebBook
Registry NumbersSources
Reaxys:2130137Reaxys
CAS:2635-10-1ChemIDplus
CAS:2635-10-1NIST Chemistry WebBook
Citations