phenthoate (CHEBI:34917)

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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Definition	An organic thiophosphate that is ethyl mandelate in which the hydroxy group has been replaced by a (dimethoxyphosphorothioyl)sulfanediyl group.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

Average Mass

320.36500

Monoisotopic Mass

320.03059

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 )

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

Last Modified

02 March 2015