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Buprofezin

CAT: 0013-GTR19158611-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19158611-03Size:100 mg
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Description
Buprofezin is an insecticide used for control of insect pests such as mealybugs, leafhoppers and whitefly on vegetable crops.
CAS Number
69327-76-0
Purity
>98% (HPLC)
Solubility
In Vitro: DMSO : 100 mg/mL (327.40 mM)
Smiles
CC (C) N1\C (SCN (C1=O) c1ccccc1) =N\C (C) (C) C
Molecular Formula
C16H23N3OS
Molecular Weight
305.44
Storage Conditions
Storage temperature: -20°C. Stability: ≥ 2 years
Notes
For research use only.

Chemical Information

2-(Tert-butylimino)-5-phenyl-3-(propan-2-yl)-1,3,5-thiadiazinan-4-one

Buprofezin is a 2-(tert-butylimino)-5-phenyl-3-(propan-2-yl)-1,3,5-thiadiazinan-4-one in which the C=N double bond has Z configuration. It has a role as an insecticide and a member of homopteran inhibitor of chitin biosynthesis.

CAS Number69327-76-0
PubChem CID50367
IUPAC Name2-tert-butylimino-5-phenyl-3-propan-2-yl-1,3,5-thiadiazinan-4-one
Molecular FormulaC16H23N3OS
Molecular Weight305.4
XLogP3.8
Topological Polar Surface Area61.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity408
SMILES
CC(C)N1C(=NC(C)(C)C)SCN(C1=O)C2=CC=CC=C2
InChI
InChI=1S/C16H23N3OS/c1-12(2)19-14(17-16(3,4)5)21-11-18(15(19)20)13-9-7-6-8-10-13/h6-10,12H,11H2,1-5H3
InChIKey
PRLVTUNWOQKEAI-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(Tert-butylimino)-5-phenyl-3-(propan-2-yl)-1,3,5-thiadiazinan-4-one
CAS: 69327-76-0
CID: 50367
Formula: C16H23N3OS
MW: 305.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight305.4
XLogP33.8
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass305.15618354
Monoisotopic Mass305.15618354
Topological Polar Surface Area61.2 Ų
Heavy Atom Count21
Formal Charge0
Complexity408
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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TRC-B689672-100MGBuprofezin-d7
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