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Thioguanine acetonitrile

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Identification
Molecular formula
C7H5N5S
CAS number
18800-54-7
IUPAC name
2-(7H-purin-6-ylsulfanyl)acetonitrile
State
State

At room temperature, thioguanine acetonitrile is in a solid state. It is typically stable under standard atmospheric conditions and is insoluble in water.

Melting point (Celsius)
248.00
Melting point (Kelvin)
521.00
Boiling point (Celsius)
300.00
Boiling point (Kelvin)
573.00
General information
Molecular weight
176.19g/mol
Molar mass
176.1940g/mol
Density
1.5600g/cm3
Appearence

Thioguanine acetonitrile typically appears as a solid powder that is white to off-white in color. Some variations in appearance may occur depending on the purity and polymorphic form of the sample.

Comment on solubility

Solubility of 2-(7H-purin-6-ylsulfanyl)acetonitrile

The solubility of 2-(7H-purin-6-ylsulfanyl)acetonitrile is quite intriguing due to its unique structure. Generally speaking, the solubility of a compound can be influenced by several factors, such as:

  • Polarity: The presence of polar functional groups can enhance solubility in polar solvents.
  • Molecular Weight: Lower molecular weight compounds tend to be more soluble in various solvents.
  • Hydrogen Bonding: The ability to form hydrogen bonds can significantly impact solubility in water.

In the case of 2-(7H-purin-6-ylsulfanyl)acetonitrile, the purine ring introduces polarity, potentially making it soluble in highly polar solvents such as water or methanol. However, due to the presence of a nitrile group, it's essential to note:

  • If the compound exhibits significant hydrophobic characteristics, it may have limited solubility in water.
  • Its solubility behavior can alter based on temperature and the presence of other solutes.

Overall, while specific solubility data for this compound may not be widely available, the combination of its functional groups suggests that it may be soluble in polar organic solvents but would require further investigation to confirm any solubility limits in aqueous solutions.

Interesting facts

Interesting Facts About 2-(7H-purin-6-ylsulfanyl)acetonitrile

2-(7H-purin-6-ylsulfanyl)acetonitrile is a fascinating compound primarily recognized for its role in biological systems and potential therapeutic applications. Here are some compelling facts that highlight its significance:

  • Biological Relevance: This compound belongs to a class of compounds known as purines, which are essential building blocks of nucleic acids like DNA and RNA. Their presence is crucial for cellular replication and the storage of genetic information.
  • Pharmacological Potential: Compounds related to purines have shown promise in medicinal chemistry. They are frequently studied for their potential in treating various diseases, including cancer and viral infections.
  • Modifications and Derivatives: The introduction of different functional groups, such as the sulfanyl group in this compound, can significantly alter biological activity. Scientists often explore these variations to optimize therapeutic effects.
  • Research Applications: Due to its unique structure, 2-(7H-purin-6-ylsulfanyl)acetonitrile serves as a valuable tool in chemical and biological research. Scientists utilize it to study enzyme interactions and metabolic pathways.
  • The Sulfanyl Group: The presence of the sulfanyl (–SH) group may enhance the compound’s reactivity and binding properties, making it an interesting candidate for further research in various fields.

In summary, 2-(7H-purin-6-ylsulfanyl)acetonitrile exemplifies the intricate relationship between chemistry and biology, illustrating how a single compound can play multiple roles in scientific exploration. Its potential applications and relevance in understanding biological processes make it a subject of ongoing study and interest.

Synonyms
5443-91-4
6-Cyanomethyl MP
ACETONITRILE, (PURIN-6-YLTHIO)-
2-((7H-Purin-6-yl)thio)acetonitrile
(Purine-6-yl-thio)acetonitrile
NSC 19866
(Purin-6-ylthio)acetonitrile
6-(Cyanomethylthio)-9H-purine
BRN 0013487
AI3-50856
Acetonitrile, (1H-purin-6-ylthio)-
Purine, 6-cyanomethylthio
4-26-00-01989 (Beilstein Handbook Reference)
DTXSID70202832
NSC19866
(9H-purin-6-ylsulfanyl)acetonitrile
NSC-19866
STL293654
AKOS011537964
AKOS024253339
2-(9H-purin-6-ylsulfanyl)acetonitrile
DS-009687