6601-20-3

Basic information

• Product Name: N,N'-DIALLYLTHIOUREA
• Synonyms: n,n’-di-2-propenyl-thioure;1,3-DIALLYL-2-THIOUREA;N,N'-DIALLYLTHIOUREA;1,3-Diallylthiourea;Bisallylthiocarbamide;N,N'-Bis-allylthiourea
• CAS NO: 6601-20-3
• Molecular Formula: C₇H₁₂N₂S
• Molecular Weight: 156.25
• Mol File: 6601-20-3.mol
• Article Data: 2

Chemical Properties

• Melting Point: 48-50°C
• Boiling Point: 209.8°C at 760 mmHg
• Flash Point: 80.7°C
• Appearance: /
• Density: 1.0909 (rough estimate)
• Vapor Pressure: 0.199mmHg at 25°C
• Refractive Index: 1.6000 (estimate)
• PKA: 13.77±0.70(Predicted)
• BRN: 1754800
• CAS DataBase Reference: N,N'-DIALLYLTHIOUREA(CAS DataBase Reference)
• NIST Chemistry Reference: N,N'-DIALLYLTHIOUREA(6601-20-3)
• EPA Substance Registry System: N,N'-DIALLYLTHIOUREA(6601-20-3)

Safety Data

• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39
• RIDADR: 2811
• TSCA: Yes
• HazardClass: 6.1
• PackingGroup: III
• Hazardous Substances Data: 6601-20-3(Hazardous Substances Data)

Usage

General Description

N,N'-diallylthiourea is a chemical compound with the molecular formula C10H16N2S. It is a dithiocarbamate derivative and is commonly used as a cross-linking agent in the production of rubber and polymers. N,N'-diallylthiourea has also been studied for its potential use as an antiviral and antifungal agent due to its ability to inhibit the growth of certain microorganisms. Additionally, it has shown promise in medical research for its potential to protect against radiation-induced DNA damage. However, it is important to note that N,N'-diallylthiourea can be toxic and should be handled with care.

InChI:InChI=1/C7H12N2S/c1-3-5-8-7(10)9-6-4-2/h3-4H,1-2,5-6H2,(H2,8,9,10)

Upstream product

• 56-89-3 L-cystine 
• 57-06-7 N-allyl isothiocyanate 
• 75-15-0 carbon disulfide 
• 25642-42-6 N-allyl-N'-(4,4'-bis-dimethylamino-benzhydrylidene)-thiourea 
• 13991-81-6 N,N'-bis-(4-dimethylamino-phenyl)-thiourea 

Downstream Products

• 57-06-7 N-allyl isothiocyanate 
• 63398-71-0 4-(3-Acetylsulfamoyl-4-chloro-phenyl)-3-allyl-2-allylimino-1,3-thiazolidine-4-ol-hydrobromide 
• 59814-57-2 3-allyl-2-allylimino-4-(4-chloro-3-sulfamoylphenyl)-1,3-thiazolidine-4-ol-hydrochloride 
• 63398-76-5 3-Allyl-2-allylimino-4-(4-chloro-3-cyclohexylaminocarbonylsulfamoyl-phenyl)-1,3-thiazolidine-4-ol-hydrobromide 

Relevant articles and documents

Thermal Degradation of Allyl Isothiocyanate in Aqueous Solution

Allyl isothiocyanate in an aqueous solution was heated and refluxed at 100 °C for 1 h. The reaction mixtures were then extracted with methylene chloride and analyzed using gas chromatography (GC) and gas chromatography-mass spectrometry (GC-MS). The mixtures in aqueous phase were analyzed by high-performance liquid chromatography (HPLC) and liquid chromatography-mass spectrometry (LC-MS) equipped with an atmospheric-pressure chemical ionization (APCI) interface. The compounds identified in the methylene chloride extracts included diallyl sulfide, diallyl disulfide, diallyl trisulfide, diallyl tetrasulfide, allyl thiocyanate, 3H-1,2-dithiolene, 2-vinyl-4H-1,3-dithiin, 4H-1,2,3-trithiin, and 5-methyl-1,2,3,4-tetrathiane. N,N′-Diallylthiourea, which was the major degradation product in the aqueous phase from the thermal reaction of allyl isothiocyanate, was identified by using LC-MS (APCI+), direct-probe EI-MS, and 1H-NMR. The possible mechanism for the formation of these products was proposed.