methiocarb

Identification (Source:EPA,EU)

ID 134
Name methiocarb
CAS 2032-65-7
IUPAC 4-methylthio-3,5-xylyl methylcarbamate
Inchi InChI=1S/C11H15NO2S/c1-7-5-9(14-11(13)12-3)6-8(2)10(7)15-4/h5-6H,1-4H3,(H,12,13)
CIPAC 165
EPA Code 100501
Formula C11H15NO2S
SMILES O=C(Oc1cc(c(SC)c(c1)C)C)NC
Status Approved

Classification

Mode of Action Non-systemic with neurotoxic contact and stomach action. Acetylcholinesterase (AChE) inhibitor.
Pesticide Type Insecticide, Molluscicide
Chemical Group Carbamate
Classification phenyl methylcarbamate insecticides
carbamate acaricides
Bird repellents
Molluscicides

Properties (Source:PubChem)

Molecular Weight 225.31
Physical State Colourless crystals
AlogP 3.107
H-Bond Donor 1
H-Bond Acceptor 3
Surface Area 236.69
Polar Surface Area 63.63

Structure



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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 Chronic 96 hour NOEC, growth 3.2 mg l-1
Algae Acute 72 hour EC50, growth 2.2 mg l-1
Aquatic invertebrates Chronic 21 day NOEC 0.0001 mg l-1
Aquatic invertebrates Acute 48 hour EC50 0.008 mg l-1
Birds Short term dietary LC50/LD50 1071 mg/kg feed
Birds Acute LD50 5 mg kg-1
Earthworms Acute 14 day LD50 1322 mg kg-1
Earthworms Chronic 14 day NOEC, reproduction 0.32 mg kg-1
Fish Chronic 21 day NOEC 0.05 mg l-1
Fish Acute 96 hour LC50 0.65 mg l-1
Honeybees Acute 48 hour LD50 0.23 μg bee-1
Mammals Acute oral LD50 19 mg kg-1
Mammals Short term dietary NOEL 10 ppm diet
Mammals Short term dietary NOEL 1.3 mg kg-1
Bio-concentration factor CT50 1 days
Bio-concentration factor BCF 75

Related targets

Target Name RScore (About this table)
Acetylcholinesterase 334(4,4,5,9) Details
anticholinesterase 95(1,1,2,10) Details
estrogen receptor alpha 87(0,2,5,12) Details
cytochrome P450 (protein family or complex) 46(0,1,2,11) Details
FMO1 14(0,0,2,4) Details
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