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2-(Butylthio)benzothiazole

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Identification
Molecular formula
C11H15NS2
CAS number
615-22-5
IUPAC name
2-butylsulfanyl-1,3-benzothiazole
State
State

At room temperature, 2-(Butylthio)benzothiazole is in a liquid state.

Melting point (Celsius)
-15.00
Melting point (Kelvin)
258.15
Boiling point (Celsius)
315.80
Boiling point (Kelvin)
588.95
General information
Molecular weight
223.37g/mol
Molar mass
223.3400g/mol
Density
1.1527g/cm3
Appearence

2-(Butylthio)benzothiazole is typically a colorless to pale yellow liquid. It exhibits characteristic odors associated with thiazole compounds, which are often described as sulfur-like or rubbery.

Comment on solubility

Solubility of 2-butylsulfanyl-1,3-benzothiazole

The solubility of 2-butylsulfanyl-1,3-benzothiazole can be characterized by several important factors:

  • Polarity: Due to the presence of both a sulfanyl group and a thiazole ring, the compound exhibits a moderate degree of polarity. This influences its interactions with solvents.
  • Solvent Compatibility: Generally, compounds like 2-butylsulfanyl-1,3-benzothiazole tend to be more soluble in organic solvents such as ethanol, dichloromethane, or acetone, rather than in water.
  • Temperature Effects: Temperature can significantly impact solubility; increasing the temperature often enhances the solubility of organic compounds, allowing for better dissolution in suitable solvents.
  • Hydrogen Bonding: The molecule may engage in hydrogen bonding with certain solvents, which could also affect its overall solubility.

In summary, while 2-butylsulfanyl-1,3-benzothiazole may have limited solubility in water, it is likely to be soluble in various organic solvents, making it versatile for different applications. Understanding these solubility properties is crucial for effective formulation and usage in chemical processes.

Interesting facts

Interesting Facts About 2-butylsulfanyl-1,3-benzothiazole

2-butylsulfanyl-1,3-benzothiazole is a fascinating compound that finds its applications in several fields, primarily due to its unique structural characteristics and properties.

Key Characteristics

  • Pharmaceutical Applications: This compound is often explored in the context of medicinal chemistry, as derivatives of benzothiazole have been identified for their potential therapeutic effects, including antimicrobial and anticancer properties.
  • Versatile Scaffold: The benzothiazole ring serves as a versatile scaffold for developing new compounds. Its unique electron-rich nature can interact with various biological targets.
  • Substituent Effect: The presence of the butylsulfanyl group significantly influences the compound's reactivity and biological activity, making it an interesting subject for synthetic chemists.

Scientific Significance

This compound's framework is not only significant in organic synthesis but also in understanding the mechanisms of several biochemical pathways. The study of its interactions with proteins can provide insights into drug design strategies.

Research Insights

Numerous studies highlight the following insights about compounds related to benzothiazoles:

  • They often show high inhibitory activity against various human pathogens.
  • Research indicates potential roles as antioxidants, helping to combat oxidative stress in living organisms.
  • Investigations into their pharmacokinetics and pharmacodynamics can offer essential insights into improving drug efficacy.

In conclusion, 2-butylsulfanyl-1,3-benzothiazole exemplifies the rich interplay between structure, reactivity, and biological activity, making it an exciting compound for ongoing research in organic and medicinal chemistry.

Synonyms
Butylcaptax
2-Butylthiobenzothiazole
BENZOTHIAZOLE, 2-(BUTYLTHIO)-
2-(Butylthio)benzothiazole
BRN 0136982
DTXSID60177707
4-27-00-01838 (Beilstein Handbook Reference)
DTXCID80100198
2314-17-2
2-butylsulfanyl-1,3-benzothiazole
SCHEMBL422527
2-n-butylmercapto-benzothiazole
2-(butylthio)-1,3-benzothiazole
AKOS003653315
DB-285800