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Diafenthiuron

CAT: 0013-GTR19188772-02Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19188772-02Size:100 mg
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Description
Diafenthiuron is a thiourea insecticide that disrupts mitochondrial function in pests. It is used in agricultural research to study insecticide modes of action and has been applied in both in vivo bioassays and in vitro mitochondrial studies.
CAS Number
80060-09-9
Field of Research
Cell Biology, Infectious Disease & Virology, Metabolism Research
Smiles
CC (C) c1cc (Oc2ccccc2) cc (C (C) C) c1NC (=S) NC (C) (C) C
Molecular Formula
C23H32N2OS
Molecular Weight
384.58
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Diafenthiuron

Diafenthiuron is an aromatic ether that is 1,3-diisopropyl-5-phenoxybenzene in which the hydrogen atom at position 2 is substituted by a (tert-butylcarbamothioyl)nitrilo group. An agricultural proinsecticide which is used to control mites, aphids and whitefly in cotton. It has a role as a proinsecticide and an oxidative phosphorylation inhibitor. It is an aromatic ether, a thiourea insecticide and a thiourea acaricide. It is functionally related to a diphenyl ether.

CAS Number80060-09-9
PubChem CID3034380
IUPAC Name1-tert-butyl-3-[4-phenoxy-2,6-di(propan-2-yl)phenyl]thiourea
Molecular FormulaC23H32N2OS
Molecular Weight384.6
XLogP6
Topological Polar Surface Area65.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Heavy Atom Count27
Formal Charge0
Complexity447
SMILES
CC(C)C1=CC(=CC(=C1NC(=S)NC(C)(C)C)C(C)C)OC2=CC=CC=C2
InChI
InChI=1S/C23H32N2OS/c1-15(2)19-13-18(26-17-11-9-8-10-12-17)14-20(16(3)4)21(19)24-22(27)25-23(5,6)7/h8-16H,1-7H3,(H2,24,25,27)
InChIKey
WOWBFOBYOAGEEA-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Diafenthiuron
CAS: 80060-09-9
CID: 3034380
Formula: C23H32N2OS
MW: 384.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight384.6
XLogP36
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count6
Exact Mass384.22353482
Monoisotopic Mass384.22353482
Topological Polar Surface Area65.4 Ų
Heavy Atom Count27
Formal Charge0
Complexity447
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

Alternative Products

CatalogName
FDA06009-01Diafenthiuron
AR-D06890-01Diafenthiuron-d5
HY-136394R-01Diafenthiuron (Standard)
RM-D230001-01Diafenthiuron Impurity 1
RM-D230002-01Diafenthiuron Impurity 2

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