Buprofezin

Synonyms: Buprofenzin, "2-((1,1-Dimethylethyl)imino)tetrahydro-3-(1-methylethyl)-5-phenyl-4H-1,3,5-thiadiazin-4-one", "2-tert-Butylimino-3-isopropyl-5-phenyl-1,3,5-thiadiazinan-4-one", "2-tert-Butylimino-3-isopropyl-5-phenyl-3,4,5,6-tetrahydro-2H-1,3,5-thiadiazin-4-one", "(EZ)-Buprofezin"

Source: buprofezin is an insecticide used for control of insect pests such as mealy bugs, leafhoppers and whitefly on vegetable crops.

Identifiers:

IUPAC Name: 2-tert-butylimino-5-phenyl-3-propan-2-yl-1,3,5-thiadiazinan-4-one
CAS Number: 69327-76-0
PubChem ID: 50367
InChiKey: PRLVTUNWOQKEAI-UHFFFAOYSA-N
Canonical SMILES: CC(C)N1C(=NC(C)(C)C)SCN(C1=O)C2=CC=CC=C2

Structural Properties:

Molecular Formula: C₁₆H₂₃N₃OS
Molecular Weight: 305,400

Pharmacophore Features:

Number of bond donors: 0
Number of bond acceptors: 3
Number of atoms different from hydrogen: 21

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

Mart?n-S?mer, M., Pablos, C., de Diego, A., van Grieken, R., Encinas, ?., Monsalvo, V. M., & Marug?n, J. (2019). Novel macroporous 3D photocatalytic foams for simultaneous wastewater disinfection and removal of contaminants of emerging concern. Chemical Engineering Journal, 366, 449-459.

External Links

PubChem

PubMed (general search)

PubMed (search as emerging contaminant)

2D-structure

3D-structure