29214-81-1

Basic information

• Product Name: N,N'-DIISOBUTYLTHIOUREA
• Synonyms: TIMTEC-BB SBB007912;N,N'-DIISOBUTYLTHIOUREA;1,3-diisobutyl-2-thio-ure;diisobutylthiourea;1,3-(diisobutyl)thiourea
• CAS NO: 29214-81-1
• Molecular Formula: C₉H₂₀N₂S
• Molecular Weight: 188.33
• EINECS: 249-520-1
• Mol File: 29214-81-1.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 240.7°Cat760mmHg
• Flash Point: 99.4°C
• Appearance: /
• Density: 0.939g/cm³
• CAS DataBase Reference: N,N'-DIISOBUTYLTHIOUREA(CAS DataBase Reference)
• NIST Chemistry Reference: N,N'-DIISOBUTYLTHIOUREA(29214-81-1)
• EPA Substance Registry System: N,N'-DIISOBUTYLTHIOUREA(29214-81-1)

Safety Data

• Hazardous Substances Data: 29214-81-1(Hazardous Substances Data)

Usage

General Description

N,N'-Diisobutylthiourea is a chemical compound that belongs to the class of thioureas, which are known for their wide range of applications in various industries. This particular compound is commonly used as a corrosion inhibitor in metalworking fluids and lubricants, as well as in the production of rubber and plastics. It is also utilized as a stabilizer in the processing of photographic films and papers, and as a reagent in organic synthesis. N,N'-Diisobutylthiourea is known for its relatively low toxicity and is stable under normal conditions, making it a versatile and valuable chemical in many industrial processes.

Upstream product

• 75-15-0 carbon disulfide 
• 78-81-9 isobutylamine 
• 137131-02-3 N,N'-bis<1-(1H-benzotriazol-1-yl)-2-methylpropyl>thiourea 
• 534-18-9 sodium trithiocarbonate 

Downstream Products

• 59814-50-5 4-(4-Chloro-3-sulfamoylphenyl)-3-isobutyl-2-isobutylimino-1,3-thiazolidine-4-ol-hydrochloride 

Relevant articles and documents

Synthesis, crystal structure, and DFT calculations of 1,3-diisobutyl thiourea

1,3-Diisobutyl thiourea was synthesized and characterized by single crystal X-ray diffraction. It gives a monoclinic (α = γ = 90 and β ≠ 90) structure with the space group P21/c. The unit cell dimensions are a = 11.5131 (4) ?, b = 9.2355 (3) ?, c = 11.3093 (5) ?, α = 90°, β = 99.569° (2), γ = 90°, V = 1185.78 (8) ?3, and Z = 4. The crystal packing is stabilized by intermolecular (N-HS) hydrogen bonding in the molecules. The optimized geometry and Mullikan's charges of the said molecule calculated with the help of DFT using B3LYP-6-311G model support the crystal structure.

A CONVENIENT METHOD FOR THE PREPARATION OF N,N'-DISUBSTITUTED THIOUREAS USING 2-CHLOROPYRIDINIUM SALT, SODIUM TRITHIOCARBONATE AND AMINES

N,N'-Disubstituted thioureas were prepared in high yields by treating 2-chloropyridinium salt with sodium trithiocarbonate and subsequently adding amines.