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Sulforaphane

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Identification
Molecular formula
C6H11NOS2
CAS number
142825-10-3
IUPAC name
1-isothiocyanato-4-methylsulfinyl-butane
State
State

At room temperature, sulforaphane is typically a solid but may appear as an oily liquid if exposed to slightly higher temperatures due to its relatively low melting point.

Melting point (Celsius)
60.00
Melting point (Kelvin)
333.15
Boiling point (Celsius)
126.00
Boiling point (Kelvin)
399.15
General information
Molecular weight
177.29g/mol
Molar mass
177.2940g/mol
Density
1.2110g/cm3
Appearence

Sulforaphane is typically a light gray or off-white crystalline solid. It can also come in powder form with a slightly bitter taste and has a faint odor resembling that of sulfur or garlic due to its sulfur-containing structure. The compound may appear as an oily liquid at elevated temperatures.

Comment on solubility

Solubility of 1-isothiocyanato-4-methylsulfinyl-butane (C6H11NOS2)

1-isothiocyanato-4-methylsulfinyl-butane is an organic compound that presents interesting solubility characteristics. Due to its diverse functional groups, the solubility can vary significantly depending on the solvent. Here are some key points to consider:

  • Solvent Polarity: This compound is likely to be more soluble in polar solvents, such as water and methanol, as opposed to non-polar solvents, given the presence of the isothiocyanate and sulfoxide groups which are polar in nature.
  • Temperature Influence: Like many organic compounds, solubility may increase with temperature. Therefore, warmer solvents generally enhance the dissolution process.
  • Hydrogen Bonding: The presence of sulfinyl (–S=O) groups can partake in hydrogen bonding, promoting solubility in protic solvents.
  • Concentration Effects: At higher concentrations, the solubility limits may be reached, leading to precipitation. Understanding the saturation point is vital for practical applications.

In general, while specific empirical data might be sparse, the solubility of 1-isothiocyanato-4-methylsulfinyl-butane seems to indicate a preference for polar environments, making it suitable for various chemical applications where water-soluble properties are advantageous.

Interesting facts

Interesting Facts about 1-Isothiocyanato-4-methylsulfinyl-butane

1-Isothiocyanato-4-methylsulfinyl-butane, often shortened to its functional groups such as isothiocyanate and sulfoxide, is a fascinating compound with biological significance and unique properties. Here are some key points that highlight its importance:

  • Natural Occurrence: This compound can be found in cruciferous vegetables, particularly in garlic and onions, where it contributes to their pungent flavor and potential health benefits.
  • Biological Activity: Research has shown that isothiocyanates exhibit anticancer properties, acting as chemoprotective agents by inhibiting the growth of cancer cells and inducing apoptosis.
  • Flavor Profile: Due to its sulfur-containing moieties, 1-isothiocyanato-4-methylsulfinyl-butane is responsible for the characteristic spicy taste found in certain dishes, making it an integral part of culinary practices.
  • Chemical Structure: The compound features an isothiocyanate functional group, which is known for its reactivity and ability to form various derivatives useful in organic synthesis.
  • Research Interest: Scientists are increasingly interested in studying this compound not only for its potential health benefits but also for its reactivity, which can lead to new synthetic pathways in organic chemistry.

In conclusion, 1-isothiocyanato-4-methylsulfinyl-butane is more than just a chemical; it represents a link between nature, health, and the culinary arts. Its diverse applications and properties make it a compelling subject for ongoing research.

Synonyms
sulforaphane
4478-93-7
DL-Sulforaphane
1-Isothiocyanato-4-(methylsulfinyl)butane
D,L-Sulforaphane
Sulforafan
1-isothiocyanato-4-methylsulfinylbutane
Sulphoraphane
1-Isothiocyanato-4-(methylsulfinyl)-butane
Butane, 1-isothiocyanato-4-(methylsulfinyl)-
sulforaphane, (R)-
CCRIS 7221
CHEBI:47807
4-Methylsulfinylbutyl isothiocyanate
Sulforaphane Racemate
(+/-)-sulforaphane
4-(Methylsulfinyl)Butyl Isothiocyanate
DTXSID8036732
41684WL1GL
4-isothiocyanatobutyl methyl sulfoxide
NSC 749790
NSC-749790
1-isothiocyanato-4-methylsulfinyl-butane
(S)-1-Isothiocyanato-4-(methylsulfinyl)butane
R,S-Sulforaphane
SFN
SULFORAPHANE [MI]
SULFORAPHANE [WHO-DD]
Sulfaforaphane
Sulforathane
UNII-41684WL1GL
4-methylsulfoxybutylisothiocyanate
MFCD00198068
1-isothiocyanato-4-methylsulphinylbutane
SULFORAPHANE [INCI]
BUTANE, 1-ISOTHIOCYANATO-4-((R)-METHYLSULFINYL)-
CHEMBL48802
SCHEMBL105202
GTPL6569
DTXCID6016732
SULFORAPHANE, (+/-)-
GLXC-10959
HMS3746M17
BCP31547
4-Methylsulfinyl butyl isothiocyanate
BDBM50073654
MFCD09039283
MSK164678
NSC749790
s5771
AKOS006282481
CS-7809
FS27960
4-(Methylsulfinyl)-butyl isothiocyanate
SULFORAPHANE (+/-)-FORM [MI]
AC-34421
DA-62944
HY-13755
1-Isothiocyanato-4-(methylsulfinyl)butane #
U0142
F17072
Q424489
DL-Sulforaphane, >=90% (HPLC), synthetic, liquid
BRD-A58955223-001-02-0
BRD-A58955223-001-03-8
ISOTHIOCYANIC ACID, 4-(METHYLSULFINYL)BUTYL ESTER
Z1198151975
(R)-Sulforaphane;(-)-Sulforaphane;4-Methylsulfinylbutyl isothiocyanate
1-Isothiocyanato-4-(methylsulfinyl)-butane;4-Methylsulfinylbutyl isothiocyanate
878-934-0