646-23-1

Basic information

• Product Name: ALYSSIN
• Synonyms: 1-ISOTHIOCYANATO-5-(METHYLSULFINYL)-PENTANE;ALYSSIN;ALYSSIN SULFONE;5-methylsulfinylpentylimino(thioxo)methane
• CAS NO: 646-23-1
• Molecular Formula: C7H13NOS2
• Molecular Weight: 191.31
• Product Categories: Miscellaneous Natural Products
• Mol File: 646-23-1.mol
• Article Data: 3

Chemical Properties

• Boiling Point: 376.3°C at 760 mmHg
• Flash Point: 181.4°C
• Appearance: /
• Density: 1.14g/cm³
• Vapor Pressure: 1.58E-05mmHg at 25°C
• Refractive Index: 1.558
• CAS DataBase Reference: ALYSSIN(CAS DataBase Reference)
• NIST Chemistry Reference: ALYSSIN(646-23-1)
• EPA Substance Registry System: ALYSSIN(646-23-1)

Safety Data

• Hazardous Substances Data: 646-23-1(Hazardous Substances Data)

Usage

General Description

Alyssin is a chemical compound found in plants belonging to the genus Alyssum, including sweet alyssum (Lobularia maritima), which is commonly used as a ground cover and in gardens. It is classified as an isothiocyanate, a type of organic compound that is known for its pungent odor and potential health benefits. Alyssin has been studied for its potential anti-cancer properties, as it is believed to have a role in inhibiting the growth of cancer cells. Additionally, it has been shown to have antioxidant and anti-inflammatory properties, making it a potential candidate for use in natural health products and pharmaceuticals. Further research is needed to fully understand the potential benefits and risks associated with alyssin.

InChI:InChI=1/C7H13NOS2/c1-11(9)6-4-2-3-5-8-7-10/h2-6H2,1H3

Upstream product

• 908337-04-2 5-methylsulfinylpentylamine 
• 4430-42-6 berteroin 
• 463-71-8 thiophosgene 
• 5414-21-1 5-bromopentan-1-nitrile 
• 59121-25-4 5-(methylsulfanyl)pentanenitrile 
• 55021-78-8 5-methylthiopentylamine 
• 59501-72-3 2-<5-(methylthio)pentyl>-1H-isoindol-1,3(2H)-dione 

Relevant articles and documents

PROCESS FOR THE SYNTHESIS OF ISOTHIOCYANATES AND DERIVATIVES THEREOF AND USES OF SAME

A method for synthesizing an isothiocyanate of general formula (I) [in-line-formulae]SCN—R1—R4—R2??(I)[/in-line-formulae] wherein R1 and R2 represent independently of each other an alkyl-aryl or aryl group, R4 represents a carbonyl, sulfinyl, sulfonyl group or a sulfide group and of its derivatives comprising a step for reacting an alkylalkylamine having the general formula (II) [in-line-formulae]NH2—R1—R4—R2??(II)[/in-line-formulae] wherein R1 and R2 represent independently of each other an alkyl, aryl or alkylaryl group, R4 represents a carbonyl, sulfinyl, sulfonyl or sulfide group, in the presence of carbon sulfide and of di-tert-butyl dicarbonate with formation of the corresponding aforesaid isothiocyanate, compounds obtained by this method as well as their uses.

BIOTRANSFORMATION OF ORGANIC SULFIDES. PART 7. FORMATION OF CHIRAL ISOTHIOCYANATO SULFOXIDES AND RELATED COMPOUNDS BY MICROBIAL BIOTRANSFORMATION

The fungi Helminthosporium species NRRL 4671 and Mortierella isabellina ATCC 42613 have been used for the biotransformation of a series of isothiocyanatoalkyl methyl sulfides and their synthetic precursors, ω-(methylthio)alkylphthalimides.H. species gave predominantly (S) sulfoxides in all cases; M. isabellina gave (R) isothiocyanatoalkyl methyl sulfoxides, but in the case of two ω-(methylthio)alkylphthalimides substantial conversion of sulfoxide to sulfone resulted in the isolation of the former with predominant (S) configuration.A correction is made of the previously reported configurations of two biotransformation products (Tetrahedron: Asymmetry, 1994, 5, 1129).