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Sulforaphene

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Identification
Molecular formula
C6H9NOS2
CAS number
592-95-0
IUPAC name
4-isothiocyanato-1-methylsulfinyl-but-1-ene
State
State

At room temperature, sulforaphene is typically a liquid.

Melting point (Celsius)
1.00
Melting point (Kelvin)
274.15
Boiling point (Celsius)
126.00
Boiling point (Kelvin)
399.15
General information
Molecular weight
201.31g/mol
Molar mass
201.3080g/mol
Density
1.2000g/cm3
Appearence

Sulforaphene is generally found as a clear to slightly yellow liquid. It may have a faintly pungent odor, characteristic of isothiocyanates.

Comment on solubility

Solubility of 4-isothiocyanato-1-methylsulfinyl-but-1-ene

4-isothiocyanato-1-methylsulfinyl-but-1-ene, often abbreviated for ease, exhibits specific solubility characteristics that are noteworthy.

Factors Influencing Solubility:

The solubility of this compound can be primarily influenced by several factors:

  • Polarity: The presence of both isothiocyanate and sulfinyl functional groups in the molecule contributes to its polarity, which typically enhances solubility in polar solvents.
  • Temperature: As with many organic compounds, increased temperature may lead to increased solubility—allowing for better dissolution in solvents.
  • pH Level: The solubility can also vary with changes in pH, especially due to the presence of the isothiocyanate group, which can interact with protons.

General Solubility Observations:

While specific solubility data for 4-isothiocyanato-1-methylsulfinyl-but-1-ene may not be extensively documented, it can be inferred that:

  • Polar solvents such as methanol or ethanol may dissolve the compound effectively.
  • Aqueous solubility might be limited due to organic nature, often requiring organic solvent mixtures for complete dissolution.
  • Hydrophobic solvents may not interact well, possibly leading to low solubility.

In summary, while the solubility of 4-isothiocyanato-1-methylsulfinyl-but-1-ene is influenced by various factors, understanding these principles can guide the selection of appropriate solvents for experimental applications.

Interesting facts

Exploring 4-Isothiocyanato-1-methylsulfinyl-but-1-ene

4-Isothiocyanato-1-methylsulfinyl-but-1-ene is a fascinating compound that has captured the interest of chemists and biologists alike. Here are some intriguing insights about this unique molecule:

  • Biological Activity: This compound is known for its potential anti-cancer properties, specifically in relation to its role in inducing apoptosis in various cancer cell lines.
  • Natural Occurrence: It contains isothiocyanate groups, which are found in many natural sources, particularly in cruciferous vegetables like broccoli and cabbage. These vegetables are praised for their health benefits, largely due to compounds like this one.
  • Synthetic Utility: 4-Isothiocyanato-1-methylsulfinyl-but-1-ene can be synthesized through several methods, making it a valuable compound for synthetic organic chemists. Its derivatives are often used as intermediates in organic synthesis.
  • Mechanistic Studies: Research on this compound often delves into its reactivity and interaction with biological systems, offering potential pathways for therapeutic developments.
  • Flavor Chemistry: Besides its biological importance, this compound can also contribute to the flavor profile of various foods, particularly due to its sulfur-based characteristics.

The study of 4-isothiocyanato-1-methylsulfinyl-but-1-ene highlights the intricate connections between chemistry and health, showcasing how specific molecular structures can have profound effects in biological contexts.

Synonyms
4-methylsulfinyl-3-butenyl isothiocyanate
4-isothiocyanato-1-methylsulfinylbut-1-ene
L-SULFORAPHENE
SCHEMBL994470
DTXSID401028336