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Diafenthiuron

CAT: 1596-AR-D06891-04Size: 100 UnitsDry Ice: NoHazardous: No
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CAT#:1596-AR-D06891-04Size:100 Units
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CAS Number
80060-09-9
Synonyms
1- (tert-butyl) -3- (2,6-diisopropyl-4-phenoxyphenyl) thiourea
Molecular Formula
C23H32N2OS
Molecular Weight
384.58
API Name
Diafenthiuron

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
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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
HY-136394R-01Diafenthiuron (Standard)
RM-D230001-01Diafenthiuron Impurity 1
RM-D230002-01Diafenthiuron Impurity 2

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