difethialone

Identification (Source:EPA,EU)

ID 1772
Name difethialone
CAS 104653-34-1
IUPAC
Inchi InChI=1S/C31H23BrO2S/c32-24-15-13-20(14-16-24)19-9-11-21(12-10-19)23-17-22-5-1-2-6-25(22)27(18-23)29-30(33)26-7-3-4-8-28(26)35-31(29)34/h1-16,23,27,33H,17-18H2
CIPAC 549
EPA Code 128967
Formula C31H23BrO2S
SMILES Brc1ccc(cc1)c2ccc(cc2)C6Cc3ccccc3C(C=4C(=O)c5c(SC=4O)cccc5)C6
Status Not Approved

Classification

Mode of Action Anticoagulant
Pesticide Type Rodenticide
Chemical Group Coumarin anticoagulant
Classification coumarin rodenticides

Properties (Source:PubChem)

Molecular Weight 539.48
Physical State White-yellow powder
AlogP 8.693
H-Bond Donor 1
H-Bond Acceptor 3
Surface Area 446.33
Polar Surface Area 62.6

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
Algae Chronic 96 hour NOEC, growth 0.032 mg l-1
Algae Acute 72 hour EC50, growth > 0.18 mg l-1
Aquatic invertebrates Acute 48 hour EC50 0.0044 mg l-1
Birds Acute LD50 0.264 mg kg-1
Birds Short term dietary LC50/LD50 0.56 mg/kg feed
Earthworms Acute 14 day LD50 > 1000 mg kg-1
Fish Acute 96 hour LC50 0.051 mg l-1
Mammals Acute oral LD50 0.56 mg kg-1
Bio-concentration factor CT50 Not available days
Bio-concentration factor BCF 39974

Related targets

Target Name RScore (About this table)
VKORC1 11(0,0,1,6) Details
prothrombin 8(0,0,1,3) Details
Docunmentation of Network Visuallization

Network initializing...Please wait

Node List

ID Name Type

Legend:

: Current entry node; : Target node; : Compound node;