pyrithiobac

Identification (Source:EPA,EU)

ID 853
Name pyrithiobac
CAS 123342-93-8
IUPAC 2-chloro-6-(4,6-dimethoxypyrimidin-2-ylthio)benzoic acid
Inchi InChI=1S/C13H11ClN2O4S/c1-19-9-6-10(20-2)16-13(15-9)21-8-5-3-4-7(14)11(8)12(17)18/h3-6H,1-2H3,(H,17,18)
CIPAC
EPA Code
Formula C13H11ClN2O4S
SMILES Clc(c([H])c([H])c([H])c1Sc2nc(c([H])c(n2)OC([H])([H])[H])OC([H])([H])[H])c1C(=O)O[H]
Status Not Available

Classification

Mode of Action
Pesticide Type
Chemical Group
Classification pyrimidinylthiobenzoic acid herbicides
benzoic acid herbicides

Properties (Source:PubChem)

Molecular Weight 326.75544
Physical State
AlogP 4.03
H-Bond Donor 1
H-Bond Acceptor 7
Surface Area 303.99
Polar Surface Area 106.84

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

Related targets

Target Name RScore (About this table)
Koc 81(1,1,1,1) Details
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