1516-33-2

Basic information

• Product Name: ISOBUTYLTHIOUREA
• Synonyms: Thiourea,N-(2-Methylpropyl)-
• CAS NO: 1516-33-2
• Molecular Formula: C₅H₁₂N₂S
• Molecular Weight: 132.23
• Mol File: 1516-33-2.mol
• Article Data: 6

Chemical Properties

• Boiling Point: 194.6°Cat760mmHg
• Flash Point: 71.5°C
• Appearance: /
• Density: 1.025g/cm³
• Vapor Pressure: 0.437mmHg at 25°C
• Refractive Index: 1.526
• CAS DataBase Reference: ISOBUTYLTHIOUREA(CAS DataBase Reference)
• NIST Chemistry Reference: ISOBUTYLTHIOUREA(1516-33-2)
• EPA Substance Registry System: ISOBUTYLTHIOUREA(1516-33-2)

Safety Data

• Hazardous Substances Data: 1516-33-2(Hazardous Substances Data)

Usage

General Description

ISOBUTYLTHIOUREA is a chemical compound with the molecular formula C5H12N2S. It is a derivative of thiourea and is commonly used as a reagent in organic synthesis. ISOBUTYLTHIOUREA is a colorless crystalline solid that is soluble in water and organic solvents. It is known for its ability to form complexes with metal ions, making it useful in various chemical processes such as catalysis and coordination chemistry. ISOBUTYLTHIOUREA has also been studied for its potential applications in the field of medicine, particularly in the treatment of certain diseases and as a chelating agent for metal detoxification.

InChI:InChI=1/C5H12N2S/c1-4(2)3-7-5(6)8/h4H,3H2,1-2H3,(H3,6,7,8)

Upstream product

• 591-82-2 isobutyl isothiocyanate 
• 463-71-8 thiophosgene 
• 78-81-9 isobutylamine 
• 117759-82-7 (1-Benzotriazol-1-yl-2-methyl-propyl)-thiourea 
• 22283-38-1 N-Benzoyl-N'-isobutylthioharnstoff 

Downstream Products

• 557783-72-9 N-isobutyl-4-phenyl-1,3-thiazol-2-amine 

Relevant articles and documents

SUBSTITUTED N-ALKYLPYRIMIDINONES

This invention is directed generally to substituted pyrimidinone compounds that generally inhibit p38 kinase, TNF, and/or cyclooxygenase activity. Such substituted pyrimidinone include compounds generally corresponding in structure to the following formula (I): wherein R1, R2, R3, R4A, R4B, R4C, R4D and R4E are as defined in this specification. This invention also is directed to compositions of such substituted pyrimidinones (particularly pharmaceutical compositions), intermediates for the syntheses of such substituted pyrimidinones, methods for making such substituted pyrimidinones, and methods for treating (including preventing) conditions (typically pathological conditions) associated with p38 kinase activity, TNF activity, and/or cyclooxygenase-2 activity.

Substituted 5,5′-diphenyl-2-thioxoimidazolidin-4-one as CB 1 cannabinoid receptor ligands: Synthesis and pharmacological evaluation

A set of 30 substituted 5,5′-diphenyl-2-thioxoimidazolidin-4-one (thiohydantoins) derivatives was synthesized, and their affinity for the human CB1 cannabinoid receptor has been evaluated. These compounds are derived from the previously described cannabinoid ligands 5,5′- diphenylimidazolidine-2,4-dione (hydantoins). The replacement of the oxygen by a sulfur leads to an increase of the affinity while the function-i.e., inverse agonism-determined by [35S]-GTPγS experiments remains unaffected. Finally, to evaluate the molecular parameters that could influence the affinity of the thiohydantoins, molecular electrostatic potential as well as lipophilicity calculations were undertaken on representative thiohydantoins and hydantoins derivatives. In conclusion, 5,5′-bis-(4-iodophenyl)-3-butyl-2- thioxoimidazolidin-4-one (31) and 3-allyl-5,5′-bis(4-bromophenyl)-2- thioxoimidazolidin-4-one (32) possess the highest affinity for the CB 1 cannabinoid receptor described to date for the hydantoin and thiohydantoins series when compared in a same bioassay.

A GENERAL METHOD FOR THE N-ALKYLATION OF THIOAMIDES.

Thioamides are N-alkylated in a two-step procedure: (i) Reaction with an aldehyde and benzotriazole yields an adduct which is (ii) reduced to the N-alkylthioamide by NaBH4.