764-49-8

Basic information

• Product Name: allyl thiocyanate
• Synonyms: allyl thiocyanate;3-Thiocyanato-1-propene;Thiocyanic acid allyl;Thiocyanic acid allyl ester
• CAS NO: 764-49-8
• Molecular Formula: C₄H₅NS
• Molecular Weight: 99.1542
• EINECS: 212-126-5
• Mol File: 764-49-8.mol
• Article Data: 11

Chemical Properties

• Boiling Point: 161°C
• Flash Point: 51.8°C
• Appearance: /
• Density: 1.0560
• Vapor Pressure: 2.22mmHg at 25°C
• Refractive Index: 1.5306 (estimate)
• CAS DataBase Reference: allyl thiocyanate(CAS DataBase Reference)
• NIST Chemistry Reference: allyl thiocyanate(764-49-8)
• EPA Substance Registry System: allyl thiocyanate(764-49-8)

Safety Data

• Hazardous Substances Data: 764-49-8(Hazardous Substances Data)

Usage

General Description

Allyl thiocyanate is a chemical compound with the formula C4H5NCS. It is a colorless to pale yellow liquid with a pungent odor similar to mustard oil. Allyl thiocyanate is a naturally occurring compound found in plants such as mustard, radish, and horseradish. It is commonly used as a flavoring agent in foods, particularly in mustard and horseradish sauces. Allyl thiocyanate has also been studied for its potential antimicrobial and anticancer properties. However, it is important to note that allyl thiocyanate can be toxic in high concentrations and should be handled with caution.

InChI:InChI=1/C4H5NS/c1-2-3-6-4-5/h2H,1,3H2

Upstream product

• 3952-98-5 sinigrin 
• 333-20-0 potassium thioacyanate 
• 107-05-1 3-chloroprop-1-ene 
• 79306-35-7 1-(allylthio)-2,2-dimethylcyclopropyl azide 
• 557-42-6 zinc(II) thiocyanate 
• 106-95-6 allyl bromide 
• 506-77-4 cyanogen chloride 
• 57-06-7 N-allyl isothiocyanate 
• 556-65-0 lithium thiocyanate 
• 540-72-7 sodium thiocyanide 
• 505-14-6 thiocyanogen 
• 762-73-2 trimethyl(allyl)stannane 
• 7575-57-7 allyl benzenesulfonate 
• 1147550-11-5 ammonium thiocyanate 

Downstream Products

• 870-23-5 prop-2-ene-1-thiol 
• 74-90-8 hydrogen cyanide 
• 109-57-9 Allylthiourea 
• 2179-57-9 diallyl disulphide 
• 45705-36-0 N-Allyl-pyridinium 
• 15941-77-2 thiocyanatogen 
• 57-06-7 N-allyl isothiocyanate 
• 333-20-0 potassium thioacyanate 

Relevant articles and documents

Thiocyanation and 2-Amino-1,3-thiazole Formation in Water Using Recoverable and Reusable Glycosylated Resorcin[4]arene Cavitands

A family of three spatially directional resorcin[4]arene cavitand glycoconjugates (RCGs) have been applied as efficient recoverable and reusable inverse phase transfer catalysts for eco- A nd environmentally friendly thiocyanation and 2-amino-1,3-thiazole formation reactions in water. The results show that RCGs (1 mol %) were capable of hosting and catalyzing various water-insoluble bromo/thiocyanato substrates in water without the use of any co-organic solvents. The recoverability and reusability of RCG catalytic systems, that is, RCG1 and RCG3, were also examined upon a simple extraction of the desired products using DCM or ethyl acetate, followed by subjecting the recovered aqueous solution containing the RCG catalysts to the next reaction cycles.

Microwave-assisted synthesis of alkyl thiocyanates

Microwave irradiation accelerated the reaction of t-alkyl, allyl, and benzyl halides with Zn(SCN)2 to afford thiocyanates in excellent yields and high selectivity with the formation of isothiocyanates only in minor proportions. Because thiocyanates are stable intermediates to thiols, the method also affords facile access to corresponding thiols.

Glucosinolate aglucones and analogues: Insecticidal properties and a QSAR

Naturally occurring aglucones of three glucosinolates (sinigrin, glucotropaeolin, and epi-progoitrin) were tested for fumigation activity against the house fly, Musca domestica, and the lesser grain borer, Rhizopertha dominica. A total of eight natural aglucones were evaluated in the bioassays. Two aglucones of sinigrin showed efficacy against both species which was comparable with that of a commercial fumigant, chloropicrin. None of the aglucones tested was comparable in activity to dichlorvos. Aglucones of glucotropaeolin were also insecticidal, but not to the same level as the sinigrin aglucones. The aglucones of epi-progoitrin were only slightly effective as fumigants. A quantitative structureactivity relationship (QSAR) was developed for synthetic analogues of the sinigtin and glucotropaeolin aglucones. An electronic parameter, σ* provided the best predictor of activity in R. dominica, whereas a hydrophobicity parameter, π, best predicted activity in M. domestica.