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Methallyl isothiocyanate

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Identification
Molecular formula
C5H9NO2S2
CAS number
4786-97-0
IUPAC name
1-isothiocyanato-3-methylsulfonyl-propane
State
State

At room temperature, methallyl isothiocyanate is a liquid.

Melting point (Celsius)
-27.00
Melting point (Kelvin)
246.15
Boiling point (Celsius)
154.00
Boiling point (Kelvin)
427.15
General information
Molecular weight
163.26g/mol
Molar mass
163.2600g/mol
Density
1.1800g/cm3
Appearence

1-Isothiocyanato-3-methylsulfonyl-propane appears as a clear to pale yellow liquid. It possesses a pungent odor characteristic of isothiocyanates, which is similar to mustard oil.

Comment on solubility

Solubility of 1-isothiocyanato-3-methylsulfonyl-propane

1-isothiocyanato-3-methylsulfonyl-propane, a compound with the formula C4H8N2O2S, exhibits unique solubility characteristics that are important for its applications.

Key Points on Solubility:

  • Polarity: The presence of the isothiocyanate functional group and the sulfonyl group contributes to the polarity of the molecule, which enhances its solubility in polar solvents.
  • Solvents: It is generally soluble in common polar solvents such as water, methanol, and ethanol.
  • Temperature Dependence: Like many organic compounds, the solubility of 1-isothiocyanato-3-methylsulfonyl-propane may increase with temperature, making it more soluble in warmer solvent conditions.
  • Hydrogen Bonding: The sulfonyl group may facilitate hydrogen bonding, which can further increase its solubility in appropriate solvents.

In conclusion, 1-isothiocyanato-3-methylsulfonyl-propane demonstrates appreciable solubility in polar solvents, largely due to its structural features that promote interaction with solvent molecules. Understanding its solubility is crucial for various applications in chemical processes and formulations.

Interesting facts

Interesting Facts about 1-Isothiocyanato-3-methylsulfonyl-propane

1-Isothiocyanato-3-methylsulfonyl-propane is a fascinating compound that falls under the category of isothiocyanates, which are known for their diverse chemical properties and biological activities. Scientists have identified several noteworthy aspects of this compound:

  • Natural Origin: Isothiocyanates, including 1-isothiocyanato-3-methylsulfonyl-propane, are often derived from glucosinolates found in cruciferous vegetables such as broccoli and kale. This makes them an interesting topic in the study of nutrition and health.
  • Bioactivity: This compound is known for its potential anticancer properties. Research suggests that isothiocyanates can induce apoptosis (programmed cell death) in various cancer cell types, highlighting their role in cancer prevention.
  • Flavor Profile: 1-Isothiocyanato-3-methylsulfonyl-propane possesses a distinctive, pungent flavor, often associated with the characteristic taste of mustard and horseradish. This makes it a compound of interest not only in chemistry but also in culinary arts.
  • Environmental Importance: Isothiocyanates play a role in plant defense mechanisms against pests and pathogens. Their effectiveness as natural pesticides makes them valuable in sustainable agricultural practices.
  • Research Opportunities: Scientists continue to explore the chemical pathways through which isothiocyanates exert their health benefits. Ongoing studies aim to uncover novel applications and enhance our understanding of their mechanisms.

In conclusion, 1-isothiocyanato-3-methylsulfonyl-propane is not just an ordinary compound; it serves as a bridge between chemistry, nutrition, and agriculture. As research progresses, it holds potential for contributing to advancements in health and sustainable practices in food production.

Synonyms
Cheirolin
505-34-0
Cheiroline
1-isothiocyanato-3-methylsulfonylpropane
1-Isothiocyanato-3-(methylsulfonyl)propane
BRN 1768925
UNII-8DA547512J
CHEIROLIN [MI]
Propane, 1-isothiocyanato-3-(methylsulfonyl)-
8DA547512J
ISOTHIOCYANIC ACID, 3-(METHYLSULFONYL)PROPYL ESTER
DTXSID00198517
4-04-00-01664 (Beilstein Handbook Reference)
DTXCID60121008
1-Isothiocyanato-3-methanesulphonylpropane
Propane, 1-isothiocyanato-3-(methylsulfonyl)-(9CI)
3-(Methylsulphonyl)propylisothiocyanate
1-isothiocyanato-3-methanesulfonylpropane
SCHEMBL1688838
3-Methylsulfonylpropyl-isothiocyanat
AKOS011080243
DB-021726
HY-117107
1-Isothiocyanato-3-(methylsulfonyl)-propane
CS-0063741
G91279
Q27270219