Sulforaphene | CAS No. 592-95-0

Sulforaphene

Basic Information

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CAS Number

592-95-0

Molecular Formula

C6H9NOS2

Molecular Weight

175.3 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Physical Properties

Physical State

Powder

Boiling Point

bp0.015 125-130°

Solubility

N/A

Specific Rotation

D19 -107° (c = 1.37 in chloroform); D14 -136° (c = 1.38 in alcohol)

SMILES

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CS(=O)C=CCCN=C=S

InChI

InChI=1S/C6H9NOS2/c1-10(8)5-3-2-4-7-6-9/h3,5H,2,4H2,1H3/b5-3+

InChIKey

QKGJFQMGPDVOQE-HWKANZROSA-N

LogP

1.3715

Topological Polar Surface Area

29.43 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

182

Safety Information

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Storage Conditions

2-8℃

Synonyms & References

English

Q7294040
2404-46-8
592-95-0
Raphanin
4-Isothiocyanato-1-(methylsulfinyl)-1-butene
1-Butene, 4-isothiocyanato-1-(methylsulfinyl)-
(1E)-4-isothiocyanato-1-methanesulfinylbut-1-ene
(R)-(E)-Sulforaphene
UNII-NCO9MC39IO
(E)-4-isothiocyanato-1-methylsulfinylbut-1-ene
AC-34422
F21504
S-Sulforaphene
HY-N2450
Sulforaphene
Sulphoraphen
NCO9MC39IO
CHEMBL49659
sulphoraphene
AKOS006274434
CS-0022676
(-)4-Isothiocyanato-4R-(methylsulfinyl)-1-butene
ISOTHIOCYANIC ACID, 4-(METHYLSULFINYL)-3-BUTENYL ESTER
SCHEMBL2937706
1-Methylsulfinylbutenyl isothiocyante
Sulforaphen
AKOS040760048
MS-22937
(E)-4-Isothiocyanato-1-(methylsulfinyl)-1-butene
SULFORAPHENE, (-)-(RG) PrintBack
4-isothiocyanato-1-(methylsulfinyl)-1-buten

MDL Number

MFCD00189462

FAQ

What are the physical and chemical properties of Sulforaphene (CAS: 592-95-0)?

Sulforaphene (CAS: 592-95-0) is a crystalline compound with a molecular weight of approximately 234.23 g/mol. It is slightly soluble in water and ethanol, and practically insoluble in hexane. Chemically, it is stable under normal conditions but can react with strong oxidizing agents. Its solubility and stability are crucial for its use in pharmaceutical applications and as a research reagent.

How is Sulforaphene (CAS: 592-95-0) typically synthesized?

Sulforaphene (CAS: 592-95-0) is typically synthesized through the demethylation of glucoraphanin, a process catalyzed by myrosinase. The synthesis involves the use of a natural enzyme or synthetic equivalents. High selectivity, yield, and purity are achieved, making it suitable for various applications in food and pharmaceutical industries.

What industries use Sulforaphene (CAS: 592-95-0)?

Sulforaphene (CAS: 592-95-0) is primarily used in the food and pharmaceutical industries. It is also explored for applications in biotechnology and nanotechnology. Its antioxidant and anti-inflammatory properties make it a valuable compound in developing functional foods and therapeutic agents.

What precautions should be taken when handling Sulforaphene (CAS: 592-95-0)?

When handling Sulforaphene (CAS: 592-95-0), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood. Spills should be cleaned up immediately using appropriate materials, and proper storage in a cool, dry place is recommended. Always consult the Safety Data Sheet (SDS) for detailed safety information and guidelines.