Metribuzin

Synonyms: Sencor, "Lexone", "Metribuzine", "Zenkor", "Sencorex", "Senkor", "Sencor DF", "Lexone DF", "Sencor 4F", "Lexone 4L", "Bayer 6443H", "Bayer 6159H", "Bayer 94337", "Sencorex L.F.", "4-Amino-6-tert-butyl-3-methylsulfanyl-4H-[1,2,4]triazin-5-one", "4-amino-6-(tert-butyl)-3-(methylthio)-1,2,4-triazin-5(4H)-one"

Source: metribuzin is a selective triazinone herbicide which inhibits photosynthesis.

Identifiers:

IUPAC Name: 4-amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one
CAS Number: 21087-64-9
PubChem ID: 30479
InChiKey: FOXFZRUHNHCZPX-UHFFFAOYSA-N
Canonical SMILES: CC(C)(C)C1=NN=C(N(C1=O)N)SC

Structural Properties:

Molecular Formula: C₈H₁₄N₄OS
Molecular Weight: 214,290

Pharmacophore Features:

Number of bond donors: 1
Number of bond acceptors: 5
Number of atoms different from hydrogen: 14

Downloads

2D structure (.sdf)
3D structure (.sdf)
3D structure (.mol2)
3D structure (.pdb)
3D structure (.pdbqt)

Search Similar molecules

Evidence Supporting This Chemical as an Emerging Contaminant

Meffe, R., & de Bustamante, I. (2014). Emerging organic contaminants in surface water and groundwater: a first overview of the situation in Italy. Science of the Total Environment, 481, 280-295.

External Links

PubChem

PubMed (general search)

PubMed (search as emerging contaminant)

2D-structure

3D-structure