dioxathion

Identification (Source:EPA,EU)

ID 216
Name dioxathion
CAS 78-34-2
IUPAC
Inchi InChI=1S/C12H26O6P2S4/c1-5-15-19(21,16-6-2)23-11-12(14-10-9-13-11)24-20(22,17-7-3)18-8-4/h11-12H,5-10H2,1-4H3
CIPAC 124
EPA Code 037801
Formula C12H26O6P2S4
SMILES S=P(SC1OCCOC1SP(=S)(OCC)OCC)(OCC)OCC
Status Not Approved

Classification

Mode of Action Acetylcholinesterase (AChE) inhibitor.
Pesticide Type Insecticide, Acaricide
Chemical Group Organophosphate
Classification organothiophosphate insecticides
heterocyclic organothiophosphate insecticides
organothiophosphate acaricides

Properties (Source:PubChem)

Molecular Weight 456.54
Physical State Reddish brown liquid
AlogP 3.754
H-Bond Donor 0
H-Bond Acceptor 10
Surface Area 424.41
Polar Surface Area 189.77

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
Aquatic invertebrates Acute 48 hour EC50 0.00035 mg l-1
Birds Acute LD50 3600 mg kg-1
Fish Acute 96 hour LC50 0.118 mg l-1
Mammals Acute oral LD50 23 mg kg-1

Related targets

Target Name RScore (About this table)
muscles 1(0,0,0,1) Details
Acetylcholinesterases 1(0,0,0,1) Details
anticholinesterase 1(0,0,0,1) Details
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