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CHEBI:167184 - chlorthion

ChEBI IDCHEBI:167184
ChEBI Namechlorthion
Stars
DefinitionAn organic thiophosphate that is O,O-dimethyl O-phenyl phosphorothioate substituted by a chloro group at position 3 and a nitro group at position 4. It is a potent cholinesterase inhibitor and used as an insecticide for the control of a wide range of insects.
Last Modified15 January 2021
SubmitterAchchuthan Shanmugasundram
DownloadsMolfile
FormulaC8H9ClNO5PS
Net Charge0
Average Mass297.656
Monoisotopic Mass296.96276
SMILESCOP(=S)(OC)Oc1ccc([N+](=O)[O-])c(Cl)c1
InChIInChI=1S/C8H9ClNO5PS/c1-13-16(17,14-2)15-6-3-4-8(10(11)12)7(9)5-6/h3-5H,1-2H3
InChIKeyNZNRRXXETLSZRO-UHFFFAOYSA-N
Roles Classification
Biological Role:
EC 3.1.1.8 (cholinesterase) inhibitor  An EC 3.1.1.* (carboxylic ester hydrolase) inhibitor that interferes with the action of cholinesterase (EC 3.1.1.8).
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.
pesticide  Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.
pesticide  Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.
ChEBI Ontology
Outgoing Relation(s)
chlorthion (CHEBI:167184) has role agrochemical (CHEBI:33286)
chlorthion (CHEBI:167184) has role EC 3.1.1.8 (cholinesterase) inhibitor (CHEBI:37733)
chlorthion (CHEBI:167184) is a C-nitro compound (CHEBI:35716)
chlorthion (CHEBI:167184) is a monochlorobenzenes (CHEBI:83403)
chlorthion (CHEBI:167184) is a organic thiophosphate (CHEBI:37512)
chlorthion (CHEBI:167184) is a organothiophosphate insecticide (CHEBI:25715)
IUPAC Name 
O-(3-chloro-4-nitrophenyl) O,O-dimethyl phosphorothioate
Synonyms  Source
chlortionChemIDplus
chlorothionChemIDplus
chlorthion methylChemIDplus
methyl chlorothionChemIDplus
phosphorothioic acid O-(3-chloro-4-nitrophenyl) O,O-dimethyl esterChemIDplus
O,O-dimethyl O-(3-chloro-4-nitrophenyl) thionophosphateChEBI
Manual XrefsDatabases
1476PPDB
9944ChemSpider
Registry NumbersSources
Reaxys:2292513Reaxys
CAS:500-28-7ChemIDplus
CAS:500-28-7NIST Chemistry WebBook
Citations