pebulate

Identification (Source:EPA,EU)

ID 1095
Name pebulate
CAS 1114-71-2
IUPAC
Inchi InChI=1S/C10H21NOS/c1-4-7-8-11(6-3)10(12)13-9-5-2/h4-9H2,1-3H3
CIPAC 236
EPA Code 041403
Formula C10H21NOS
SMILES O=C(SCCC)N(CCCC)CC
Status Not Approved

Classification

Mode of Action Selective, systemic, absorbed through roots and translocated
Pesticide Type Herbicide
Chemical Group Thiocarbamate
Classification thiocarbamate herbicides

Properties (Source:PubChem)

Molecular Weight 203.34
Physical State Colourless to yellow liquid
AlogP 3.331
H-Bond Donor 0
H-Bond Acceptor 2
Surface Area 233.74
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 8.2 mg l-1
Aquatic invertebrates Acute 48 hour EC50 5.9 mg l-1
Aquatic plants Acute 7 day EC50, biomass 1.5 mg l-1
Birds Acute LD50 5206 mg kg-1
Fish Acute 96 hour LC50 7.4 mg l-1
Honeybees Acute 48 hour LD50 11 μg bee-1
Mammals Acute oral LD50 1120 mg kg-1
Mammals Short term dietary NOEL 16 mg kg-1
Bio-concentration factor BCF 359
Bio-concentration factor CT50 Not available days

Related targets

Target Name RScore (About this table)
aldehyde dehydrogenase (protein family or complex) 4(0,0,0,4) Details
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