phenkapton

Identification (Source:EPA,EU)

ID 229
Name phenkapton
CAS 2275-14-1
IUPAC
Inchi InChI=1S/C11H15Cl2O2PS3/c1-3-14-16(17,15-4-2)19-8-18-11-7-9(12)5-6-10(11)13/h5-7H,3-4,8H2,1-2H3
CIPAC 107
EPA Code 335300
Formula C11H15Cl2O2PS3
SMILES Clc1ccc(Cl)cc1SCSP(=S)(OCC)OCC
Status Not Available

Classification

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

Properties (Source:PubChem)

Molecular Weight 377.31
Physical State
AlogP 5.491
H-Bond Donor 0
H-Bond Acceptor 5
Surface Area 338.0
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
Aquatic invertebrates Acute 48 hour EC50 0.0013 mg l-1
Fish Acute 96 hour LC50 3.5 mg l-1
Mammals Acute oral LD50 44 mg kg-1
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