CHEBI:38508 - methiocarb

ChEBI IDCHEBI:38508
ChEBI Namemethiocarb
Stars
DefinitionA carbamate ester obtained by the formal condensation of the phenolic group of 3,5-dimethyl-4-(methylsulfanyl)phenol with the carboxy group of methylcarbamic acid.
Last Modified19 July 2023
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC11H15NO2S
Net Charge0
Average Mass225.313
Monoisotopic Mass225.08235
SMILESCNC(=O)Oc1cc(C)c(SC)c(C)c1
InChIInChI=1S/C11H15NO2S/c1-7-5-9(14-11(13)12-3)6-8(2)10(7)15-4/h5-6H,1-4H3,(H,12,13)
InChIKeyYFBPRJGDJKVWAH-UHFFFAOYSA-N
Wikipedia
Roles Classification
Chemical Role:
environmental contaminant  Any minor or unwanted substance introduced into the environment that can have undesired effects.
Biological Roles:
xenobiotic  A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
EC 3.1.1.7 (acetylcholinesterase) inhibitor  An EC 3.1.1.* (carboxylic ester hydrolase) inhibitor that interferes with the action of enzyme acetylcholinesterase (EC 3.1.1.7), which helps breaking down of acetylcholine into choline and acetic acid.
Applications:
agrochemical  An agrochemical is a substance that is used in agriculture or horticulture.
insecticide  Strictly, a substance intended to kill members of the class Insecta. In common usage, any substance used for preventing, destroying, repelling or controlling insects.
molluscicide  A substance used to destroy pests of the phylum Mollusca.
avicide  A substance used to destroy bird pests (class Aves).
acaricide  A substance used to destroy pests of the subclass Acari (mites and ticks).
ChEBI Ontology
Outgoing Relation(s)
methiocarb (CHEBI:38508) has functional parent 3,5-dimethyl-4-(methylsulfanyl)phenol (CHEBI:38509)
methiocarb (CHEBI:38508) has functional parent methylcarbamic acid (CHEBI:45379)
methiocarb (CHEBI:38508) has role acaricide (CHEBI:22153)
methiocarb (CHEBI:38508) has role agrochemical (CHEBI:33286)
methiocarb (CHEBI:38508) has role avicide (CHEBI:33289)
methiocarb (CHEBI:38508) has role EC 3.1.1.7 (acetylcholinesterase) inhibitor (CHEBI:38462)
methiocarb (CHEBI:38508) has role environmental contaminant (CHEBI:78298)
methiocarb (CHEBI:38508) has role insecticide (CHEBI:24852)
methiocarb (CHEBI:38508) has role molluscicide (CHEBI:33904)
methiocarb (CHEBI:38508) has role xenobiotic (CHEBI:35703)
methiocarb (CHEBI:38508) is a aryl sulfide (CHEBI:35683)
methiocarb (CHEBI:38508) is a carbamate ester (CHEBI:23003)
methiocarb (CHEBI:38508) is a methyl sulfide (CHEBI:86315)
IUPAC Name 
3,5-dimethyl-4-(methylsulfanyl)phenyl methylcarbamate
Synonyms  Source
3,5-Dimethyl-4-(methylthio)phenol methylcarbamateChemIDplus
3,5-Dimethyl-4-(methylthio)phenyl methylcarbamateChemIDplus
3,5-Dimethyl-4-methylthiophenyl N-methylcarbamateChemIDplus
4-Methylmercapto-3,5-dimethylphenyl N-methylcarbamateChemIDplus
4-Methylmercapto-3,5-xylyl methylcarbamateChemIDplus
4-Methylthio-3,5-dimethylphenyl methylcarbamateChemIDplus
Manual XrefsDatabases
C18651KEGG COMPOUND
MethiocarbWikipedia
methiocarbAlan Wood's Pesticides
457PPDB
Registry NumbersSources
Reaxys:1881431Reaxys
CAS:2032-65-7ChemIDplus
CAS:2032-65-7NIST Chemistry WebBook
CAS:2032-65-7KEGG COMPOUND
Citations