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S-(4-bromophenyl) benzenecarbothioate

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Identification
Molecular formula
C13H9BrOS
CAS number
15003-71-5
IUPAC name
S-(4-bromophenyl) benzenecarbothioate
State
State

At room temperature, S-(4-bromophenyl) benzenecarbothioate is typically in a solid state. It should be handled with care in its solid form to prevent unnecessary exposure or spillage. Its stability in solid form makes it suitable for various chemical applications where control over state is required.

Melting point (Celsius)
65.00
Melting point (Kelvin)
338.15
Boiling point (Celsius)
470.00
Boiling point (Kelvin)
743.15
General information
Molecular weight
325.18g/mol
Molar mass
325.2000g/mol
Density
1.4690g/cm3
Appearence

S-(4-bromophenyl) benzenecarbothioate appears as a crystalline solid, typically consisting of white or off-white crystals. Its crystalline nature often reflects its purity, and the substance is stable under ambient conditions, though care should be taken to store it in a cool, dry place to maintain its appearance and prevent degradation.

Comment on solubility

Solubility of S-(4-bromophenyl) benzenecarbothioate

S-(4-bromophenyl) benzenecarbothioate, with its unique structure, exhibits interesting solubility characteristics. Here’s what you might find:

  • Polar Solvents: Due to the presence of the thioate functional group, this compound shows some degree of solubility in polar solvents like ethanol and methanol.
  • Non-Polar Solvents: It tends to be more soluble in non-polar solvents, such as hexane or chloroform, facilitating its extraction and use in various organic reactions.
  • Temperature Dependence: As with many chemical compounds, solubility is temperature-dependent; an increase in temperature often enhances solubility.

As a general observation, it’s critical to remember:

  • The solubility of compounds can vary significantly based on the surrounding conditions.
  • Overall, the solubility of S-(4-bromophenyl) benzenecarbothioate in various solvents presents opportunities for its application in medicinal chemistry and materials science.

In conclusion, the solubility profile of S-(4-bromophenyl) benzenecarbothioate illustrates the balance between polarity and molecular interactions, underscoring its potential utility in various applications.

Interesting facts

Interesting Facts about S-(4-bromophenyl) benzenecarbothioate

S-(4-bromophenyl) benzenecarbothioate is a fascinating chemical compound that falls under the category of thioester compounds. Thioesters are characterized by the presence of a sulfur atom bonded to an acyl group, making them significant in various biochemical processes. Here are some captivating insights into this compound:

  • Biological Relevance: Thioesters like S-(4-bromophenyl) benzenecarbothioate play crucial roles in enzymatic reactions, particularly in the metabolic pathways of fatty acids and amino acids.
  • Reactivity: This compound can undergo hydrolysis, where it reacts with water to produce the corresponding acid and alcohol. This property is vital for its application in synthetic chemistry.
  • Synthetic Applications: S-(4-bromophenyl) benzenecarbothioate can be utilized in the synthesis of other organic compounds through various reactions, such as nucleophilic substitution and acylation.
  • Pharmacological Potential: Given its unique structure, this compound could serve as a scaffold for developing new pharmaceuticals, particularly in the field of cancer research where targeted therapies are essential.
  • Structure-Activity Relationship (SAR): Understanding the influence of the bromine substituent in this compound can enhance the design of more potent derivatives, making it a subject of interest in medicinal chemistry.

In conclusion, S-(4-bromophenyl) benzenecarbothioate exemplifies the complexity and utility of thioesters in both natural and synthetic chemical contexts. Its remarkable properties not only elevate its significance in the lab but also highlight its potential impact on future scientific advancements.

Synonyms
28122-80-7
Benzenecarbothioic acid, S-(4-bromophenyl) ester
BENZOIC ACID, THIO-, S-(p-BROMOPHENYL) ESTER
DTXSID40182399
RefChem:1078386
DTXCID00104890
S-(p-Bromophenyl) thiobenzoate
NSC 99115
BRN 1961381
NSC99115
WLN: ER DSVR
S-(4-bromophenyl) benzothioate
SCHEMBL11036672
s-(4-Bromophenyl)benzenecarbothioate
NSC-99115
Benzoic acid, S-(p-bromophenyl) ester