disulfoton

Identification (Source:EPA,EU)

ID 217
Name disulfoton
CAS 298-04-4
IUPAC
Inchi InChI=1S/C8H19O2PS3/c1-4-9-11(12,10-5-2)14-8-7-13-6-3/h4-8H2,1-3H3
CIPAC 152
EPA Code 032501
Formula C8H19O2PS3
SMILES S=P(OCC)(SCCSCC)OCC
Status Not Approved

Classification

Mode of Action Systemic absorbed via roots. Acetylcholinesterase (AChE) inhibitor.
Pesticide Type Insecticide, Acaricide
Chemical Group Organophosphate
Classification organothiophosphate insecticides
aliphatic organothiophosphate insecticides
organothiophosphate acaricides

Properties (Source:PubChem)

Molecular Weight 274.40
Physical State Yellow oil
AlogP 2.952
H-Bond Donor 0
H-Bond Acceptor 5
Surface Area 274.81
Polar Surface Area 110.96

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 0.036 mg l-1
Algae Chronic 96 hour NOEC, growth 0.01 mg l-1
Aquatic crustaceans Acute 96 hour LC50 0.1 mg l-1
Aquatic invertebrates Acute 48 hour EC50 0.013 mg l-1
Aquatic invertebrates Chronic 21 day NOEC 0.00004 mg l-1
Birds Acute LD50 39 mg kg-1
Earthworms Acute 14 day LD50 180 mg kg-1
Fish Acute 96 hour LC50 0.039 mg l-1
Fish Chronic 21 day NOEC 0.22 mg l-1
Honeybees Acute 48 hour LD50 4.1 μg bee-1
Mammals Acute oral LD50 2.6 mg kg-1
Mammals Short term dietary NOEL 1 ppm diet
Bio-concentration factor BCF 460
Bio-concentration factor CT50 Not available days

Related targets

Target Name RScore (About this table)
Acetylcholinesterase 485(2,11,13,45) Details
serum cholinesterase 200(1,3,6,45) Details
CYP2C 83(1,1,1,3) Details
C18 32(0,1,1,2) Details
glutathione S transferases 32(0,1,1,2) Details
lactate dehydrogenase (protein family or complex) 31(0,1,1,1) Details
esterase as 31(0,1,1,1) Details
CYP2C9 31(0,1,1,1) Details
liver carboxylesterase 31(0,1,1,1) Details
myelin basic protein 31(0,1,1,1) Details
glucose 6 phosphate dehydrogenase 31(0,1,1,1) Details
alanine aminotransferase 31(0,1,1,1) Details
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