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CHEBI:38873 - prothiofos

ChEBI IDCHEBI:38873
ChEBI Nameprothiofos
Stars
DefinitionAn organic thiophosphate that is the 2,4-dichlorophenyl ester of O-ethyl S-propyl dithiophosphoric acid.
Last Modified13 March 2018
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC11H15Cl2O2PS2
Net Charge0
Average Mass345.253
Monoisotopic Mass343.96281
SMILESCCCSP(=S)(OCC)Oc1ccc(Cl)cc1Cl
InChIInChI=1S/C11H15Cl2O2PS2/c1-3-7-18-16(17,14-4-2)15-11-6-5-9(12)8-10(11)13/h5-6,8H,3-4,7H2,1-2H3
InChIKeyFITIWKDOCAUBQD-UHFFFAOYSA-N
Roles Classification
Biological Roles:
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.
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.
ChEBI Ontology
Outgoing Relation(s)
prothiofos (CHEBI:38873) has functional parent 2,4-dichlorophenol (CHEBI:16738)
prothiofos (CHEBI:38873) has role agrochemical (CHEBI:33286)
prothiofos (CHEBI:38873) has role EC 3.1.1.7 (acetylcholinesterase) inhibitor (CHEBI:38462)
prothiofos (CHEBI:38873) has role EC 3.1.1.8 (cholinesterase) inhibitor (CHEBI:37733)
prothiofos (CHEBI:38873) has role insecticide (CHEBI:24852)
prothiofos (CHEBI:38873) is a dichlorobenzene (CHEBI:23697)
prothiofos (CHEBI:38873) is a organic thiophosphate (CHEBI:37512)
prothiofos (CHEBI:38873) is a organosulfur compound (CHEBI:33261)
IUPAC Name 
O-(2,4-dichlorophenyl) O-ethyl S-propyl phosphorodithionate
Synonyms  Source
ProthiophosChemIDplus
DichlorpropaphosChemIDplus
O-(2,4-dichlorophenyl) O-ethyl S-propyl dithiophosphateIUPAC
Manual XrefsDatabases
C18405KEGG COMPOUND
560PPDB
Registry NumbersSources
Reaxys:1998314Reaxys
CAS:34643-46-4ChemIDplus
CAS:34643-46-4NIST Chemistry WebBook
CAS:34643-46-4KEGG COMPOUND
Citations