bithionol

Identification (Source:EPA,EU)

ID 512
Name bithionol
CAS 97-18-7
IUPAC 2,2′-thiobis(4,6-dichlorophenol)
Inchi InChI=1S/C12H6Cl4O2S/c13-5-1-7(15)11(17)9(3-5)19-10-4-6(14)2-8(16)12(10)18/h1-4,17-18H
CIPAC
EPA Code
Formula C12H6Cl4O2S
SMILES Clc(c([H])c(c([H])c1Sc2c([H])c(c([H])c(c2O[H])Cl)Cl)Cl)c1O[H]
Status Not Available

Classification

Mode of Action
Pesticide Type
Chemical Group
Classification bridged diphenyl fungicides

Properties (Source:PubChem)

Molecular Weight 356.05184
Physical State
AlogP 6.122
H-Bond Donor 2
H-Bond Acceptor 3
Surface Area 294.52
Polar Surface Area 65.76

Structure



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3D similarity method

2D similarity method

Compound Database



Bioactivity Database

KEGG (5,928)

PDB (7,072)


Similarity Threshold

Related targets

Target Name RScore (About this table)
Slack 98(1,1,2,13) Details
SULT6B1 85(1,1,1,5) Details
PARP 82(1,1,1,2) Details
IkappaBalpha 81(1,1,1,1) Details
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