methidathion (CHEBI:34837)

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ChEBI Name	methidathion

ChEBI ID	CHEBI:34837

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

Supplier Information	ChemicalBook:CB4160797, eMolecules:1947416, ZINC000002040123

Download	Molfile XML SDF

Formula

C6H11N2O4PS3

Net Charge

Average Mass

302.33438

Monoisotopic Mass

301.96186

InChI

InChI=1S/C6H11N2O4PS3/c1-10-5-7-8(6(9)16-5)4-15-13(14,11-2)12-3/h4H2,1-3H3

InChIKey

MEBQXILRKZHVCX-UHFFFAOYSA-N

SMILES

COc1nn(CSP(=S)(OC)OC)c(=O)s1

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	methidathion (CHEBI:34837) has functional parent 5-methoxy-1,3,4-thiadiazol-2(3H)-one (CHEBI:38723) methidathion (CHEBI:34837) has role acaricide (CHEBI:22153) methidathion (CHEBI:34837) has role agrochemical (CHEBI:33286) methidathion (CHEBI:34837) has role EC 3.1.1.7 (acetylcholinesterase) inhibitor (CHEBI:38462) methidathion (CHEBI:34837) is a organic thiophosphate (CHEBI:37512) methidathion (CHEBI:34837) is a organothiophosphate insecticide (CHEBI:25715)

IUPAC Name

S-[(5-methoxy-2-oxo-1,3,4-thiadiazol-3(2H)-yl)methyl] O,O-dimethyl phosphorodithioate

Synonyms	Sources
Methidathion	KEGG COMPOUND
phosphorodithioic acid, S-[(5-methoxy-2-oxo-1,3,4-thiadiazol-3(2H)-yl)methyl] O,O-dimethyl ester	NIST Chemistry WebBook
S-(2,3-dihydro-5-methoxy-2-oxo-1,3,4-thiadiazol-3-methyl) dimethyl phosphorothiolothionate	ChemIDplus
S-[(5-methoxy-2-oxo-1,3,4-thiadiazol-3(2H)-yl)methyl] O,O-dimethyl dithiophosphate	IUPAC
Supracide	ChemIDplus

Last Modified

17 October 2009