tri-allate

Identification (Source:EPA,EU)

ID 1101
Name tri-allate
CAS 2303-17-5
IUPAC
Inchi InChI=1S/C10H16Cl3NOS/c1-6(2)14(7(3)4)10(15)16-5-8(11)9(12)13/h6-7H,5H2,1-4H3
CIPAC 97
EPA Code 078802
Formula C10H16Cl3NOS
SMILES CC(C)N(C(C)C)C(=O)SCC(=C(Cl)Cl)Cl
Status Approved

Classification

Mode of Action Selective
Pesticide Type Herbicide
Chemical Group Thiocarbamate
Classification thiocarbamate herbicides

Properties (Source:PubChem)

Molecular Weight 304.7
Physical State White crystalline solid
AlogP 3.96
H-Bond Donor 0
H-Bond Acceptor 2
Surface Area 298.09
Polar Surface Area 45.61

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 0.0022 mg l-1
Algae Chronic 96 hour NOEC, growth 0.032 mg l-1
Aquatic invertebrates Chronic 21 day NOEC 0.013 mg l-1
Aquatic invertebrates Acute 48 hour EC50 0.091 mg l-1
Aquatic plants Acute 7 day EC50, biomass 2.3 mg l-1
Birds Short term dietary LC50/LD50 > 1208 mg/kg bw/day
Birds Acute LD50 1560 mg kg-1
Earthworms Acute 14 day LD50 > 274.5 mg kg-1
Earthworms Chronic 14 day NOEC, reproduction 13.62 mg kg-1
Fish Acute 96 hour LC50 0.95 mg l-1
Fish Chronic 21 day NOEC 0.038 mg l-1
Honeybees Acute 48 hour LD50 > 100 μg bee-1
Mammals Acute oral LD50 1100 mg kg-1
Mammals Short term dietary NOEL 3.9 mg kg-1
Mammals Short term dietary NOEL 20 ppm diet
Sediment dwelling organisms Chronic 28 day NOEC, sediment 0.583 mg kg-1
Sediment dwelling organisms Acute 96 hour LC50 1.0 mg l-1
Bio-concentration factor CT50 Not available days
Bio-concentration factor BCF 1400
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