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3-[(4-iodoisothiazol-5-yl)methyleneamino]isothiourea

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Identification
Molecular formula
C5H6IN4S2
CAS number
234938-21-1
IUPAC name
3-[(4-iodoisothiazol-5-yl)methyleneamino]isothiourea
State
State

This compound exists as a solid at room temperature. It may be sensitive to moisture and light, common characteristics among similar halogenated derivatives.

Melting point (Celsius)
214.00
Melting point (Kelvin)
487.00
Boiling point (Celsius)
360.00
Boiling point (Kelvin)
633.00
General information
Molecular weight
300.06g/mol
Molar mass
300.0600g/mol
Density
1.8900g/cm3
Appearence

The compound is typically a crystalline solid, although the exact color and form can vary. Many derivatives and related compounds are often light yellow to tan in color and appear as fine powders or crystals.

Comment on solubility

Solubility of 3-[(4-iodoisothiazol-5-yl)methyleneamino]isothiourea

When considering the solubility of 3-[(4-iodoisothiazol-5-yl)methyleneamino]isothiourea, several factors come into play that dictate how well this compound interacts with solvents, particularly water and organic solvents.

Factors Affecting Solubility:

  • Polar vs. Non-polar: The presence of isothiourea moieties typically suggests a degree of polar character, while the isothiazole ring adds complexity due to its heteroatoms which can influence solubility behaviors.
  • Hydrogen Bonding: This compound likely exhibits hydrogen bonding capability, which can enhance its solubility in polar solvents.
  • Temperature: Generally, increasing the temperature can improve the solubility of solid compounds, and this may apply to our compound as well.

As a result, 3-[(4-iodoisothiazol-5-yl)methyleneamino]isothiourea is expected to show moderate solubility in polar solvents, particularly in alcohols and dimethyl sulfoxide (DMSO), while its solubility in non-polar solvents may be limited. To summarize:

Estimated Solubility Characteristics:

  • Soluble in: Polar solvents (e.g., water, DMSO)
  • Partially soluble in: Alcohols
  • Insoluble in: Non-polar solvents

Overall, the intricate nature of this compound's structure adds both versatility and complexity to its solubility profile, making it an interesting subject for further study.

Interesting facts

Interesting Facts About 3-[(4-iodoisothiazol-5-yl)methyleneamino]isothiourea

This compound, known as 3-[(4-iodoisothiazol-5-yl)methyleneamino]isothiourea, is a fascinating example of how structural chemistry can influence biological activity. Here are several noteworthy points about this intriguing molecule:

  • Versatile Applications: Compounds like this one are often explored for their potential in pharmaceutical development, particularly for their properties in treating various diseases.
  • Isothiourea Moiety: The isothiourea functional group is known for its ability to participate in various reaction mechanisms, making these compounds valuable for medicinal chemistry.
  • Iodine Atom: The presence of iodine, as seen with the iodine substituent on the isothiazole ring, can enhance the electronic properties of the molecule and impact its interaction with biological targets.
  • Structure-Activity Relationship (SAR): Scientists often modify structural components of compounds like this to optimize their biological activities, making it a subject of interest in drug design.
  • Research Potential: The unique combination of elements in this compound allows for hypotheses regarding its potential effects and mechanisms of action, particularly in areas such as cancer chemotherapy and antimicrobial activity.

In summary, the structure of 3-[(4-iodoisothiazol-5-yl)methyleneamino]isothiourea not only serves as a fundamental building block for further research but also opens up numerous avenues for exploration in both academic and pharmaceutical contexts. Understanding and manipulating molecular structures like this one could lead to significant advances in health and science.