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Thymidine (with thiol modification)

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Identification
Molecular formula
C10H14N2O5S
CAS number
50-89-5
IUPAC name
1-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-sulfanyl-pyrimidin-2-one
State
State

The compound exists as a solid at room temperature, displaying crystalline characteristics. Its physical state can vary slightly depending on humidity and other environmental conditions.

Melting point (Celsius)
185.00
Melting point (Kelvin)
458.15
Boiling point (Celsius)
390.00
Boiling point (Kelvin)
663.15
General information
Molecular weight
228.24g/mol
Molar mass
228.2420g/mol
Density
1.5000g/cm3
Appearence

This compound is typically a white to off-white powder or crystalline solid. It may present as fine crystals or granules, depending on the method of preparation. It's typically odorless, but the presence of a thiol group can sometimes impart a slight sulfide odor.

Comment on solubility

Solubility of 1-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-sulfanyl-pyrimidin-2-one

The solubility of the compound 1-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-sulfanyl-pyrimidin-2-one (C10H14N2O5S) is influenced by its complex structure and functional groups. Given the presence of both a tetrahydrofuran ring and multiple hydroxyl (-OH) groups, one can generally expect a degree of solubility in polar solvents.

Key factors affecting solubility include:

  • Polarity: The hydroxymethyl and hydroxyl groups increase polar interactions, enhancing solubility in water.
  • Hydrogen Bonding: The potential for hydrogen bonding contributes positively to solubility in aqueous environments.
  • Molecular Weight: With a moderate molecular weight, the compound presents a balance necessary for solubility, without being overly large and excessively hydrophobic.

However, it is crucial to recognize that the presence of the sulfanol (-S) group may introduce some variability in solubility characteristics. The compound is likely to be soluble in:

  • Water: Due to its polar nature
  • Alcohols: Such as ethanol, leveraging its functional groups
  • Organic Solvents: Depending on the specific solvation environment

In summary, while exact solubility data may require empirical testing, the factors outlined suggest that this compound is moderately soluble in polar solvents, driven by strong intermolecular interactions. As with many complex organic compounds, predicting solubility can be intricate and requires consideration of multiple attributes influencing the solution chemistry.

Interesting facts

Interesting Facts About 1-[4-Hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-sulfanyl-pyrimidin-2-one

This intriguing compound belongs to a unique class of chemical compounds that showcases a fusion of notable functional groups. Here are some captivating insights about it:

  • Structural Diversity: The compound features a pyrimidin-2-one core, which is recognized for its biological importance, particularly in pharmacology.
  • Potential Biological Activities: Compounds containing both sulfenyl and hydroxy groups can exhibit significant biological properties, such as antimicrobial and antitumor activities. This implies a potential role in medicinal chemistry.
  • Versatile Functional Groups: The presence of the tetrahydrofuran ring, along with hydroxymethyl and hydrosulfanyl groups, contributes to a diversity of chemical behavior, making it an interesting target for synthesis.
  • Applications in Drug Development: Given its structural characteristics, compounds like this one are often investigated for their potential as drug candidates in fields related to oncology and infectious diseases.
  • Research Significance: Studies on similar compounds can help elucidate mechanisms of action that may lead to the development of new therapeutic agents.

In conclusion, 1-[4-hydroxy-5-(hydroxymethyl)tetrahydrofuran-2-yl]-4-sulfanyl-pyrimidin-2-one stands out not only for its chemical structure but also for its potential implications in various scientific fields. As research in chemistry progresses, compounds of this nature continue to pique the interest of scientists seeking innovative solutions to medical challenges.