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Bromphenacylacetylthioamino

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Identification
Molecular formula
C12H15Br2NO2S
CAS number
55-21-6
IUPAC name
S-[4-[bis(2-bromoethyl)amino]phenyl] ethanethioate
State
State

State at Room Temperature: Solid

Melting point (Celsius)
145.00
Melting point (Kelvin)
418.15
Boiling point (Celsius)
395.50
Boiling point (Kelvin)
668.65
General information
Molecular weight
377.16g/mol
Molar mass
377.1560g/mol
Density
1.5401g/cm3
Appearence

Appearance: This compound typically appears as a solid substance, and it may be off-white or light-tan in color due to the presence of bromine atoms.

Comment on solubility

Solubility Insights for S-[4-[bis(2-bromoethyl)amino]phenyl] ethanethioate

S-[4-[bis(2-bromoethyl)amino]phenyl] ethanethioate presents a unique profile when it comes to solubility. Understanding its behavior in various solvents can reveal important information regarding its stability and potential applications in chemical processes.

Factors Influencing Solubility

  • Polarity: The compound's structure includes both polar and nonpolar regions. This affects its solubility in polar solvents like water and nonpolar solvents like hexane.
  • Functional Groups: The presence of the thiolate and amino groups may interact with solvents, enhancing solubility in specific conditions.
  • Temperature: Solubility is generally temperature-dependent; at higher temperatures, compounds may dissolve more readily.

Solubility Behavior

In general, compounds similar to S-[4-[bis(2-bromoethyl)amino]phenyl] ethanethioate tend to exhibit the following solubility characteristics:

  • Limited solubility in water: Due to the presence of bulky brominated groups.
  • Enhanced solubility in organic solvents: Solvents like DMSO or ethanol may readily dissolve this compound.
  • Temperature Variability: The solubility may increase when heated, indicating possible applications in formulations that utilize heat.

In conclusion, while S-[4-[bis(2-bromoethyl)amino]phenyl] ethanethioate may not be highly soluble in water, its behavior in organic solvents and under varying temperatures provides opportunities for its utilization in various chemical environments. Understanding these solubility dynamics is crucial for optimizing its application potential.

Interesting facts

Interesting Facts About S-[4-[bis(2-bromoethyl)amino]phenyl] ethanethioate

S-[4-[bis(2-bromoethyl)amino]phenyl] ethanethioate is a fascinating compound with a unique structure that opens up a variety of potential applications in the field of chemistry and pharmaceuticals. Here are some intriguing aspects:

  • Chemical Structure: This compound features a bis(2-bromoethyl)aminophenyl group attached to an ethanethioate moiety, providing it with a complex yet intriguing scaffold that can be explored for biological activity.
  • Potential Applications: Due to its unique functional groups, this compound may exhibit interesting pharmacological properties, potentially making it a candidate for drug development targeting specific diseases.
  • Role in Organic Synthesis: The presence of the thioate group can serve as a versatile building block in organic synthesis, providing pathways for the creation of further derivatives and complex molecules.
  • Study of Antitumor Activity: Compounds with bromoethyl groups have been studied for their ability to alkylate DNA. This raises the possibility that S-[4-[bis(2-bromoethyl)amino]phenyl] ethanethioate could possess antitumor properties worth investigating.
  • Environmental Considerations: As with all halogenated compounds, it is essential to evaluate environmental impacts and toxicity, emphasizing the need for responsible synthesis and application.

In summary, S-[4-[bis(2-bromoethyl)amino]phenyl] ethanethioate stands as a testament to the complexity of chemical compounds and their potential roles in different fields. As researchers continue to explore its properties, who knows what groundbreaking discoveries may unfold!

Synonyms
BRN 2811877
ACETIC ACID, THIO-, S-ESTER with 4-(BIS(2-BROMOETHYL)AMINO)BENZENE THIOL
2045-16-1
Acetic acid, thio-, S-(bis(2-bromoethylamino)phenyl ester
DTXSID80174399
DTXCID1096890
CHEMBL3246927