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Thiochroman-4-one

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Identification
Molecular formula
C9H8OS
CAS number
5406-78-4
IUPAC name
thiochroman-4-one
State
State

At room temperature, Thiochroman-4-one is typically in a solid state, presenting as crystalline powder.

Melting point (Celsius)
47.00
Melting point (Kelvin)
320.15
Boiling point (Celsius)
345.00
Boiling point (Kelvin)
618.15
General information
Molecular weight
150.21g/mol
Molar mass
150.2070g/mol
Density
1.2220g/cm3
Appearence

Thiochroman-4-one appears as yellow crystals or crystalline powder. It is solid at room temperature and often shows luminescence under UV light due to the conjugated systems within the molecular structure.

Comment on solubility

Solubility of Thiochroman-4-one

Thiochroman-4-one, a fascinating member of the thiochroman family, exhibits unique solubility characteristics that are essential for its applications in various chemical contexts. The solubility of this compound is influenced by several factors:

  • Polarity: The presence of the carbonyl group (C=O) in the 4-position contributes to the compound's polarity, which enhances its affinity for polar solvents.
  • Solvent Interaction: Thiochroman-4-one tends to be better soluble in organic solvents such as ethanol, methanol, and dimethyl sulfoxide (DMSO), compared to water.
  • Temperature Effects: Like many organic compounds, its solubility can increase with higher temperatures, making it more soluble in hot solvents than in cold ones.

As a general rule, thiochroman-4-one may demonstrate limited solubility in aqueous environments due to its relatively hydrophobic nature, despite some potential for interaction with water through hydrogen bonding from the carbonyl group. Understanding and manipulating its solubility can be crucial for applications ranging from medicinal chemistry to materials science.
By grasping the solubility behavior of this compound, chemists can optimize conditions for its use in various reactions and formulations.

Interesting facts

Interesting Facts about Thiochroman-4-one

Thiochroman-4-one is an intriguing compound that belongs to the family of benzothiophenes and is known for its unique structural features and pharmacological potential. Here are some fascinating aspects of this compound:

  • Structure: Thiochroman-4-one consists of a thiochroman ring structure that incorporates a sulfur atom, giving it distinct chemical properties compared to its oxygen analogs, chroman-4-ones.
  • Biological Activities: This compound has attracted considerable interest due to its various biological activities. Some studies have suggested that thiochroman-4-one derivatives may display:
    • Antioxidant properties
    • Anti-inflammatory effects
    • Potential anti-cancer activities
  • Synthesis: The synthetic routes to obtain thiochroman-4-one often involve reactions that allow the incorporation of sulfur into the aromatic system. Common methods include:
    • Reactions of appropriate precursors with sulfur sources
    • Metal-catalyzed coupling reactions
  • Applications: Due to its diverse biological effects, thiochroman-4-one has potential applications in medicinal chemistry, particularly in the development of therapeutic agents.
  • Related Compounds: Researchers often explore derivatives of thiochroman-4-one to enhance its efficacy or target specificity. Noteworthy derivatives may include variations in substituent groups which affect the compound's bioactivity.

Overall, thiochroman-4-one is a compound that piques scientific interest due to its unique structure and potential therapeutic benefits. Its study continues to reveal new insights into its role in chemical biology and medicinal chemistry.

Synonyms
Thiochroman-4-one
3528-17-4
2,3-Dihydro-4H-thiochromen-4-one
4H-1-Benzothiopyran-4-one, 2,3-dihydro-
NSC 64353
EINECS 222-548-1
NSC 113603
NSC 153096
DTXSID10188762
DTXCID70111253
4H-1-Benzothiopyran-4-one, 2,3-dihydro-(9CI)
222-548-1
inchi=1/c9h8os/c10-8-5-6-11-9-4-2-1-3-7(8)9/h1-4h,5-6h
2,3-dihydrothiochromen-4-one
NSC-64353
NSC-113603
NSC-153096
2,3-dihydro-4H-1-benzothiopyran-4-one
4H-1-Benzothiopyran-4-one,3-dihydro-
4-thiochromanone
thiochroman-4-on
MFCD00006882
1-thiochroman-4-one
Thiochroman-4-one, 97%
SCHEMBL7417
3SZW54A3MY
NCIOpen2_000254
ALBB-021273
NSC64353
NSC113603
NSC153096
STL451549
AKOS001057964
2,3-Dihydro-4H-thiochromen-4-one #
3,4-dihydro-2H-1-benzothiopyran-4-one
PD144766
DB-048765
2,3-DIHYDRO-1-BENZOTHIOPYRAN-4-ONE
NS00029818
EN300-05300
F31314
AN-584/41069589
Z56914832