propaphos (CHEBI:38858)

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ChEBI Name	propaphos

ChEBI ID	CHEBI:38858

Stars	This entity has been manually annotated by the ChEBI Team.

Supplier Information

Download	Molfile XML SDF

Formula

C13H21O4PS

Net Charge

Average Mass

304.34320

Monoisotopic Mass

304.08982

InChI

InChI=1S/C13H21O4PS/c1-4-10-15-18(14,16-11-5-2)17-12-6-8-13(19-3)9-7-12/h6-9H,4-5,10-11H2,1-3H3

InChIKey

PWYIUEFFPNVCMW-UHFFFAOYSA-N

SMILES

CCCOP(=O)(OCCC)Oc1ccc(SC)cc1

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):	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	propaphos (CHEBI:38858) has functional parent 4-(methylsulfanyl)phenol (CHEBI:38862) propaphos (CHEBI:38858) has role agrochemical (CHEBI:33286) propaphos (CHEBI:38858) has role EC 3.1.1.7 (acetylcholinesterase) inhibitor (CHEBI:38462) propaphos (CHEBI:38858) is a dialkyl aryl phosphate (CHEBI:38861) propaphos (CHEBI:38858) is a organophosphate insecticide (CHEBI:25708)

IUPAC Name

4-(methylsulfanyl)phenyl dipropyl phosphate

Synonym	Source
4-Methylthiophenyl dipropyl phosphate	ChemIDplus

Last Modified

28 July 2014