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3-(5-fluoro-1H-indol-3-yl)-2-sulfanyl-prop-2-enoic acid

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Identification
Molecular formula
C11H8FNO2S
CAS number
544455-15-8
IUPAC name
3-(5-fluoro-1H-indol-3-yl)-2-sulfanyl-prop-2-enoic acid
State
State

At room temperature, this compound is generally in a solid state, displaying stability and ease of handling for various applications in research or synthesis.

Melting point (Celsius)
206.00
Melting point (Kelvin)
479.15
Boiling point (Celsius)
843.00
Boiling point (Kelvin)
1 116.15
General information
Molecular weight
237.24g/mol
Molar mass
237.2420g/mol
Density
1.4000g/cm3
Appearence

This compound typically presents as a crystalline solid, often in the form of a powder or small crystals. It may vary in color from white to off-white depending on purity and specific batch characteristics.

Comment on solubility

Solubility of 3-(5-fluoro-1H-indol-3-yl)-2-sulfanyl-prop-2-enoic acid

The solubility of the compound 3-(5-fluoro-1H-indol-3-yl)-2-sulfanyl-prop-2-enoic acid (C11H8FNO2S) can be analyzed from its structural characteristics. Generally, several factors influence its solubility in various solvents:

  • Polarity: This compound contains a thiol (-SH) group and a carboxylic acid (-COOH) group, contributing to its potential polar characteristics, which typically enhance solubility in polar solvents such as water.
  • Hydrogen Bonding: The presence of the carboxylic acid group can facilitate hydrogen bonding with water molecules, further promoting solubility. As a rule of thumb, compounds capable of forming hydrogen bonds are often soluble in water.
  • Fluorine Substitution: The addition of a fluorine atom can affect the compound’s overall polarity and may influence solubility in organic solvents. Fluorinated compounds often exhibit unique solubility behaviors due to the electronegativity of fluorine.

In conclusion, while the potential for solubility in aqueous environments appears favorable due to its polar functional groups, the exact solubility characteristics require empirical evaluation. Tests in different solvents, including organic solvents and mixed solvent systems, would provide greater insights into its solubility profile. As always, when discussing solubility, one can derive that “Like dissolves like”, meaning polar solvents will likely facilitate a better solubility for polar compounds.

Interesting facts

Interesting Facts about 3-(5-Fluoro-1H-indol-3-yl)-2-sulfanyl-prop-2-enoic Acid

The compound 3-(5-fluoro-1H-indol-3-yl)-2-sulfanyl-prop-2-enoic acid is a fascinating molecule that belongs to a class of compounds known for their pharmaceutical potential. Here are some engaging insights:

  • Pharmacological Relevance: Derived from indole, which is a core structure in many biologically active compounds, this molecule has shown interest in drug development, especially for targeting various cancers.
  • Fluorine's Role: The presence of fluorine in the compound can significantly enhance its biological activity. Fluorine modifies the electronic properties and can increase the drug's metabolic stability, making it a point of interest in medicinal chemistry.
  • Thiol Groups: The sulfanyl group (thiol) in the molecule is notable for its functionality. Thiols are known for their ability to participate in redox reactions and act as antioxidants. This may imply additional therapeutic uses.
  • Research Potential: Ongoing studies aim to explore the compound’s potential in treating neurodegenerative diseases, where indole derivatives have been found to exhibit neuroprotective effects.
  • Structure-Activity Relationship (SAR): Understanding how changes in this compound's structure influence its biological activity can lead to more effective derivatives with improved efficacy and safety profiles.

As a component of ongoing research in organic synthesis and medicinal chemistry, 3-(5-fluoro-1H-indol-3-yl)-2-sulfanyl-prop-2-enoic acid serves as a reminder of the intricate relationships between molecular structure and biological function. This compound's study not only contributes to the realm of chemical knowledge but also holds the promise for future therapeutic breakthroughs.

Synonyms
PD151746
HMS3653M22
AKOS026750512
DA-43487