dithianon

Identification (Source:EPA,EU)

ID 695
Name dithianon
CAS 3347-22-6
IUPAC
Inchi InChI=1S/C14H4N2O2S2/c15-5-9-10(6-16)20-14-12(18)8-4-2-1-3-7(8)11(17)13(14)19-9/h1-4H
CIPAC 153
EPA Code 099201
Formula C14H4N2O2S2
SMILES N#CC=1S\C2=C(/SC=1C#N)C(=O)c3c(C2=O)cccc3
Status Approved

Classification

Mode of Action Protectant with some curative activity
Pesticide Type Fungicide
Chemical Group Quinone
Classification quinone fungicides

Properties (Source:PubChem)

Molecular Weight 296.32
Physical State Dark brown fibrous crystals
AlogP 1.688
H-Bond Donor 0
H-Bond Acceptor 6
Surface Area 264.68
Polar Surface Area 132.32

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 Acute 72 hour EC50, growth 0.09 mg l-1
Algae Chronic 96 hour NOEC, growth 0.025 mg l-1
Aquatic invertebrates Chronic 21 day NOEC 0.05 mg l-1
Aquatic invertebrates Acute 48 hour EC50 0.26 mg l-1
Birds Acute LD50 309 mg kg-1
Birds Short term dietary LC50/LD50 > 1198.5 mg/kg bw/day
Earthworms Acute 14 day LD50 578 mg kg-1
Earthworms Chronic 14 day NOEC, reproduction 22.3 mg kg-1
Fish Acute 96 hour LC50 0.07 mg l-1
Fish Chronic 21 day NOEC 0.02 mg l-1
Honeybees Acute 48 hour LD50 > 25.4 μg bee-1
Mammals Acute oral LD50 300 mg kg-1
Mammals Short term dietary NOEL 20 ppm diet
Sediment dwelling organisms Acute 96 hour LC50 > 0.5 mg l-1
Sediment dwelling organisms Chronic 28 day NOEC, sediment > 0.125 mg kg-1
Bio-concentration factor BCF 27
Bio-concentration factor CT50 1 days

Related targets

Target Name RScore (About this table)
CYP3A 83(1,1,1,3) Details
cytochrome P450 (protein family or complex) 81(1,1,1,1) Details
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