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5-(4-tert-butylphenyl)sulfanylquinazoline-2,4-diamine

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Identification
Molecular formula
C18H19N3S
CAS number
114772-54-2
IUPAC name
5-(4-tert-butylphenyl)sulfanylquinazoline-2,4-diamine
State
State

5-(4-tert-butylphenyl)sulfanylquinazoline-2,4-diamine is a solid at room temperature. When provided in powdered or crystalline form, it is typically stable if stored under recommended conditions, such as in a dry and cool place, away from light.

Melting point (Celsius)
248.00
Melting point (Kelvin)
521.00
Boiling point (Celsius)
535.10
Boiling point (Kelvin)
808.30
General information
Molecular weight
335.43g/mol
Molar mass
335.4310g/mol
Density
1.2452g/cm3
Appearence

5-(4-tert-butylphenyl)sulfanylquinazoline-2,4-diamine appears as a crystalline solid with a pale yellow to off-white coloration. The compound is usually odorless and can form needle-like crystals when purified from appropriate solvents.

Comment on solubility

Solubility of 5-(4-tert-butylphenyl)sulfanylquinazoline-2,4-diamine

The solubility of 5-(4-tert-butylphenyl)sulfanylquinazoline-2,4-diamine (C18H19N3S) can be influenced by various factors due to its complex structure. Understanding its solubility properties is essential for applications in medicinal chemistry and pharmacology.

Factors Affecting Solubility

  • Polarity: The presence of the sulfanyl group and the amino groups can contribute to the overall polarity of the molecule, which may enhance solubility in polar solvents.
  • Hydrogen Bonding: The amino groups may participate in hydrogen bonding with solvent molecules, potentially increasing solubility.
  • Size and Steric Hindrance: The bulky tert-butyl group may adversely affect solubility in certain solvents due to steric hindrance, limiting how well the compound interacts with solvent molecules.

In general, this compound may exhibit better solubility in organic solvents such as DMSO or ethanol, while exhibiting limited solubility in water due to its hydrophobic portions:

Expected Solubility Behavior

  1. Soluble: Likely in polar organic solvents (e.g., DMSO, ethanol).
  2. Partially Soluble: May show some solubility in slightly polar solvents (e.g., acetonitrile).
  3. Insoluble: Likely insoluble in non-polar solvents (e.g., hexane) and in water.

The solubility profile of 5-(4-tert-butylphenyl)sulfanylquinazoline-2,4-diamine can significantly affect its bioavailability and efficacy in pharmaceutical applications, making it a critical consideration in research and development.

Interesting facts

Exploring 5-(4-tert-butylphenyl)sulfanylquinazoline-2,4-diamine

5-(4-tert-butylphenyl)sulfanylquinazoline-2,4-diamine is an intriguing compound that belongs to the class of quinazoline derivatives. This compound exhibits a variety of properties and potential applications that make it an interesting subject for research. Here are some compelling facts about this fascinating molecule:

  • Structure: The unique structure of this compound includes a quinazoline backbone, a prominent heterocyclic aromatic compound, which is known for its significant role in medicinal chemistry.
  • Biological Activity: Quinazoline derivatives are renowned for their diverse biological activities. They often exhibit properties such as antitumor, anti-inflammatory, and antimicrobial effects. Therefore, researchers are interested in compounds like this one for potential pharmaceutical applications.
  • Customization: The presence of a tert-butyl substituent enhances the chemical stability and solubility of the molecule, allowing it to be more easily manipulated in synthetic processes. This customization can lead to the development of more effective drug candidates.
  • Research Interest: The research on sulfur-containing compounds such as this one is burgeoning. Sulfur can impart distinct reactivity, and its incorporation into drug design may lead to innovative therapeutic strategies.
  • Potential Challenges: Despite its exciting properties, synthesizing such complex compounds can present challenges, including the need for specific reaction conditions or catalysts. Keeping an eye on the methodologies is crucial for successful synthesis.

In conclusion, 5-(4-tert-butylphenyl)sulfanylquinazoline-2,4-diamine is just one example of the countless compounds that hold immense potential in chemical and pharmaceutical research. As scientists continue to explore its properties and applications, the future may reveal even more possibilities for this intriguing class of compounds.

Synonyms
5-[4-TERT-BUTYLPHENYLSULFANYL]-2,4-QUINAZOLINEDIAMINE
5-[(4-tert-butylphenyl)sulfanyl]quinazoline-2,4-diamine
5-((4-tert-butylphenyl)sulfanyl)quinazoline-2,4-diamine
5-(4-Tert-Butylphenylsulfanyl)-2,4-Quinazolinediamine
gw995
5-(4-tert-Butylphenylthio)quinazoline-2,4-diamine
TQ5
5-(4-tert-butylphenyl)sulfanylquinazoline-2,4-diamine
CHEMBL329985
SCHEMBL4320937
BDBM18047
DB01958
PD008269
NS00070465
Q27093053
5-[(4-TERT-BUTYLPHENYL)SULFANYL]-2,4-QUINAZOLINEDIAMINE