demeton-S-methyl

Identification (Source:EPA,EU)

ID 211
Name demeton-S-methyl
CAS 919-86-8
IUPAC
Inchi InChI=1S/C6H15O3PS2/c1-4-11-5-6-12-10(7,8-2)9-3/h4-6H2,1-3H3
CIPAC 47
EPA Code
Formula C6H15O3PS2
SMILES O=P(OC)(SCCSCC)OC
Status Not Approved

Classification

Mode of Action Systemic with contact and stomach action. Acetylcholinesterase (AChE) inhibitor.
Pesticide Type Insecticide, Acaricide
Chemical Group Organophosphate
Classification organothiophosphate acaricides
organothiophosphate insecticides
aliphatic organothiophosphate insecticides

Properties (Source:PubChem)

Molecular Weight 230.29
Physical State Yellow oil
AlogP 1.355
H-Bond Donor 0
H-Bond Acceptor 5
Surface Area 229.24
Polar Surface Area 95.94

Structure



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2D similarity method

Compound Database



Bioactivity Database

KEGG (5,928)

PDB (7,072)


Similarity Threshold

Ecotoxicology (Source:PPDB,IPM)

Species Method Study Time Dose Type Value
Algae Chronic 96 hour NOEC, growth 10 mg l-1
Algae Acute 72 hour EC50, growth 22.1 mg l-1
Aquatic invertebrates Acute 48 hour EC50 0.023 mg l-1
Birds Acute LD50 44 mg kg-1
Earthworms Acute 14 day LD50 250 mg kg-1
Fish Acute 96 hour LC50 6.4 mg l-1
Honeybees Acute 48 hour LD50 0.19 μg bee-1
Mammals Acute oral LD50 40 mg kg-1
Mammals Short term dietary NOEL 1 ppm diet
Bio-concentration factor CT50 Not available days

Related targets

Target Name RScore (About this table)
Acetylcholinesterase 23(0,0,1,18) Details
cholinesterase 14(0,0,1,9) Details
acid phosphatase 7(0,0,0,7) Details
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