Diafenthiuron is a thiourea compound, a widely used pesticide. Diafenthiuron inhibits mitochondrial function in pests.

Physicochemical Properties

Molecular Formula	C23H32N2OS
Molecular Weight	384.58
Exact Mass	384.223
CAS #	80060-09-9
PubChem CID	3034380
Appearance	White to off-white solid powder
Density	1.1±0.1 g/cm3
Boiling Point	448.8±55.0 °C at 760 mmHg
Melting Point	144.6-147.7°C
Flash Point	225.2±31.5 °C
Vapour Pressure	0.0±1.1 mmHg at 25°C
Index of Refraction	1.582
LogP	6
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	6
Heavy Atom Count	27
Complexity	448
Defined Atom Stereocenter Count	0
SMILES	S=C(NC(C)(C)C)NC1C(C(C)C)=CC(OC2C=CC=CC=2)=CC=1C(C)C
InChi Key	WOWBFOBYOAGEEA-UHFFFAOYSA-N
InChi Code	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)
Chemical Name	1-tert-butyl-3-[4-phenoxy-2,6-di(propan-2-yl)phenyl]thiourea
HS Tariff Code	2934.99.9001
Storage	Powder-20°C 3 years 4°C 2 years In solvent -80°C 6 months -20°C 1 month
Shipping Condition	Room temperature (This product is stable at ambient temperature for a few days during ordinary shipping and time spent in Customs)

Biological Activity

References

[1]. Muhammad Riaz-Ul-Haq, et al. Effect of Diafenthiuron exposure under short and long term experimental conditions on hematology, serum biochemical profile and elemental composition of a non-target organism, Labeo rohita. Environ Toxicol Pharmacol. 2018 Sep;

Additional Infomation

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 an oxidative phosphorylation inhibitor and a proinsecticide. It is a thiourea acaricide, a thiourea insecticide and an aromatic ether. It is functionally related to a diphenyl ether.

Solubility Data

Solubility (In Vitro)

DMSO: 100 mg/mL (260.02 mM)

Solubility (In Vivo)

Solubility in Formulation 1: 2.5 mg/mL (6.50 mM) in 10% DMSO + 40% PEG300 + 5% Tween80 + 45% Saline (add these co-solvents sequentially from left to right, and one by one), suspension solution; with sonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 400 μL PEG300 and mix evenly; then add 50 μL Tween-80 to the above solution and mix evenly; then add 450 μL normal saline to adjust the volume to 1 mL. Preparation of saline: Dissolve 0.9 g of sodium chloride in 100 mL ddH₂ O to obtain a clear solution. Solubility in Formulation 2: 2.5 mg/mL (6.50 mM) in 10% DMSO + 90% (20% SBE-β-CD in Saline) (add these co-solvents sequentially from left to right, and one by one), suspension solution; with ultrasonication. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of 20% SBE-β-CD physiological saline solution and mix evenly. Preparation of 20% SBE-β-CD in Saline (4°C，1 week): Dissolve 2 g SBE-β-CD in 10 mL saline to obtain a clear solution. Solubility in Formulation 3: ≥ 2.5 mg/mL (6.50 mM) (saturation unknown) in 10% DMSO + 90% Corn Oil (add these co-solvents sequentially from left to right, and one by one), clear solution. For example, if 1 mL of working solution is to be prepared, you can add 100 μL of 25.0 mg/mL clear DMSO stock solution to 900 μL of corn oil and mix evenly.  (Please use freshly prepared in vivo formulations for optimal results.)

Preparing Stock Solutions		1 mg	5 mg	10 mg
	1 mM	2.6002 mL	13.0012 mL	26.0024 mL
	5 mM	0.5200 mL	2.6002 mL	5.2005 mL
	10 mM	0.2600 mL	1.3001 mL	2.6002 mL

*Note: Please select an appropriate solvent for the preparation of stock solution based on your experiment needs. For most products, DMSO can be used for preparing stock solutions (e.g. 5 mM, 10 mM, or 20 mM concentration); some products with high aqueous solubility may be dissolved in water directly. Solubility information is available at the above Solubility Data section. Once the stock solution is prepared, aliquot it to routine usage volumes and store at -20°C or -80°C. Avoid repeated freeze and thaw cycles.