CHEBI:38621 - cyanophos

ChEBI IDCHEBI:38621
ChEBI Namecyanophos
Stars
Last Modified28 July 2014
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC9H10NO3PS
Net Charge0
Average Mass243.224
Monoisotopic Mass243.01190
SMILESCOP(=S)(OC)Oc1ccc(C#N)cc1
InChIInChI=1S/C9H10NO3PS/c1-11-14(15,12-2)13-9-5-3-8(7-10)4-6-9/h3-6H,1-2H3
InChIKeySCKHCCSZFPSHGR-UHFFFAOYSA-N
Roles Classification
Biological Role:
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.
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)
cyanophos (CHEBI:38621) has functional parent 4-cyanophenol (CHEBI:38622)
cyanophos (CHEBI:38621) has role agrochemical (CHEBI:33286)
cyanophos (CHEBI:38621) has role EC 3.1.1.7 (acetylcholinesterase) inhibitor (CHEBI:38462)
cyanophos (CHEBI:38621) is a organic thiophosphate (CHEBI:37512)
cyanophos (CHEBI:38621) is a organothiophosphate insecticide (CHEBI:25715)
IUPAC Name 
O-(4-cyanophenyl) O,O-dimethyl phosphorothioate
Synonyms  Source
O-(4-cyanophenyl) O,O-dimethyl thiophosphateIUPAC
CiafosChemIDplus
4-(Dimethoxyphosphinothioyloxy)benzonitrileChemIDplus
O,O-Dimethyl O-(4-cyanophenyl) thionophosphateChemIDplus
O,O-Dimethyl-O-p-cyanophenyl phosphorothioateChemIDplus
O-p-Cyanophenyl O,O-dimethyl phosphorothioateChemIDplus
Manual XrefsDatabases
C18397KEGG COMPOUND
1023PPDB
Registry NumbersSources
Beilstein:2695901Beilstein
CAS:2636-26-2ChemIDplus
CAS:2636-26-2NIST Chemistry WebBook
CAS:2636-26-2KEGG COMPOUND