omethoate

Identification (Source:EPA,EU)

ID 225
Name omethoate
CAS 1113-02-6
IUPAC
Inchi InChI=1S/C5H12NO4PS/c1-6-5(7)4-12-11(8,9-2)10-3/h4H2,1-3H3,(H,6,7)
CIPAC 202
EPA Code
Formula C5H12NO4PS
SMILES O=C(NC)CSP(=O)(OC)OC
Status Not Approved

Classification

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

Properties (Source:PubChem)

Molecular Weight 213.2
Physical State Colourless liquid
AlogP -0.547
H-Bond Donor 1
H-Bond Acceptor 5
Surface Area 213.3
Polar Surface Area 99.74

Structure



ChemMapper Search Option (Docunmentation of ChemMapper)

3D similarity method

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 Acute 72 hour EC50, growth 167.5 mg l-1
Aquatic invertebrates Chronic 21 day NOEC 0.000004 mg l-1
Aquatic invertebrates Acute 48 hour EC50 0.022 mg l-1
Birds Acute LD50 9.9 mg kg-1
Earthworms Acute 14 day LD50 46 mg kg-1
Fish Acute 96 hour LC50 9.1 mg l-1
Honeybees Acute 48 hour LD50 0.048 μg bee-1
Mammals Acute oral LD50 50.0 mg kg-1
Mammals Short term dietary NOEL 0.5 ppm diet
Bio-concentration factor CT50 Not available days
Bio-concentration factor BCF 75

Related targets

Target Name RScore (About this table)
Acetylcholinesterase 595(5,9,12,60) Details
CARB 33(0,1,1,3) Details
CYP450 (protein family or complex) 31(0,1,1,1) Details
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