CHEBI:34917 - phenthoate

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ChEBI Name phenthoate
ChEBI ID CHEBI:34917
Definition An organic thiophosphate that is ethyl mandelate in which the hydroxy group has been replaced by a (dimethoxyphosphorothioyl)sulfanediyl group.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C12H17O4PS2
Net Charge 0
Average Mass 320.36500
Monoisotopic Mass 320.031
InChI InChI=1S/C12H17O4PS2/c1-4-16-12(13)11(10-8-6-5-7-9-10)19-17(18,14-2)15-3/h5-9,11H,4H2,1-3H3
InChIKey XAMUDJHXFNRLCY-UHFFFAOYSA-N
SMILES CCOC(=O)C(SP(=S)(OC)OC)c1ccccc1
Roles Classification
Biological Role(s): 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.
Application(s): acaricide
A substance used to destroy pests of the subclass Acari (mites and ticks).
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.
(via organophosphorus insecticide )
pesticide
Strictly, a substance intended to kill pests. In common usage, any substance used for controlling, preventing, or destroying animal, microbiological or plant pests.
(via organophosphorus pesticide )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing phenthoate (CHEBI:34917) has role acaricide (CHEBI:22153)
phenthoate (CHEBI:34917) has role agrochemical (CHEBI:33286)
phenthoate (CHEBI:34917) has role EC 3.1.1.7 (acetylcholinesterase) inhibitor (CHEBI:38462)
phenthoate (CHEBI:34917) is a ethyl ester (CHEBI:23990)
phenthoate (CHEBI:34917) is a organic thiophosphate (CHEBI:37512)
phenthoate (CHEBI:34917) is a organothiophosphate insecticide (CHEBI:25715)
IUPAC Name
ethyl [(dimethoxyphosphorothioyl)sulfanyl](phenyl)acetate
Synonyms Sources
Dimephenthioate ChemIDplus
Ethyl α-((dimethoxyphosphenothioyl)thio)benzeneacetate ChEBI
Fenthoate KEGG COMPOUND
O,O-Dimethyl S-α-Ethoxycarbonylbenzyl phosphorodithioate NIST Chemistry WebBook
Phenthoate KEGG COMPOUND
S-[α-(Ethoxycarbonyl)benzyl] O,O-dimethyl phosphorodithioate NIST Chemistry WebBook
Database Links Databases
C14429 KEGG COMPOUND
CN102037953 Patent
CN102037996 Patent
Phenthoate Wikipedia
View more database links
Registry Numbers Types Sources
2474108 Beilstein Registry Number Beilstein
2474108 Reaxys Registry Number Reaxys
2597-03-7 CAS Registry Number KEGG COMPOUND
2597-03-7 CAS Registry Number NIST Chemistry WebBook
2597-03-7 CAS Registry Number ChemIDplus
Last Modified
02 March 2015