desmetryn

Identification (Source:EPA,EU)

ID 1134
Name desmetryn
CAS 1014-69-3
IUPAC
Inchi InChI=1S/C8H15N5S/c1-5(2)10-7-11-6(9-3)12-8(13-7)14-4/h5H,1-4H3,(H2,9,10,11,12,13)
CIPAC 147
EPA Code 080810
Formula C8H15N5S
SMILES S(c1nc(nc(n1)NC(C)C)NC)C
Status Not Approved

Classification

Mode of Action Selective, absorbed by leaves and roots, photosynthetic electron transport inhibitor
Pesticide Type Herbicide
Chemical Group Methylthiotriazine
Classification methylthiotriazine herbicides

Properties (Source:PubChem)

Molecular Weight 213.30
Physical State
AlogP 1.449
H-Bond Donor 2
H-Bond Acceptor 6
Surface Area 229.63
Polar Surface Area 88.03

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 Acute 72 hour EC50, growth 0.025 mg l-1
Aquatic invertebrates Acute 48 hour EC50 45 mg l-1
Earthworms Acute 14 day LD50 160 mg kg-1
Fish Acute 96 hour LC50 11.5 mg l-1
Honeybees Acute 48 hour LD50 101 μg bee-1
Mammals Acute oral LD50 1390 mg kg-1
Bio-concentration factor BCF 21
Bio-concentration factor CT50 Not available days

Related targets

Target Name RScore (About this table)
IL1 6(0,0,1,1) Details
IL2 6(0,0,1,1) Details
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Node List

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