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Prothioconazole

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Identification
Molecular formula
C15H17Cl2N3O2S
CAS number
178928-70-6
IUPAC name
ethyl N-[4-[[2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methylsulfanyl]phenyl]carbamate
State
State

At room temperature, Prothioconazole is in a solid state, specifically as a crystalline powder.

Melting point (Celsius)
104.00
Melting point (Kelvin)
377.10
Boiling point (Celsius)
535.60
Boiling point (Kelvin)
808.80
General information
Molecular weight
402.29g/mol
Molar mass
402.2900g/mol
Density
1.3400g/cm3
Appearence

The compound typically appears as a white to off-white powder. It is odorless and has a crystalline structure. Proper storage is needed to maintain its stability and appearance over time.

Comment on solubility

Solubility of Ethyl N-[4-[[2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methylsulfanyl]phenyl]carbamate

The solubility of ethyl N-[4-[[2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methylsulfanyl]phenyl]carbamate, with the chemical formula C15H17Cl2N3O2S, can be a complex aspect to analyze due to its intricate structure. In general, the solubility of such compounds can be influenced by several factors:

  • Polarity: The presence of polar groups such as the carbamate functional group tends to increase solubility in polar solvents like water.
  • Hydrophobicity: The chlorinated phenyl groups can impart hydrophobic characteristics, decreasing solubility in polar media.
  • Temperature: Increased temperature usually enhances solubility for most organic compounds, although specific behavior can vary.
  • pH Levels: Changes in pH can affect the ionization of the compound, which may impact its solubility in aqueous solutions.

Overall, while this compound is likely soluble in organic solvents due to its complex structural moieties, it may exhibit limited solubility in water. Such solubility characteristics are critical for understanding bioavailability and potential application in pharmaceuticals.

Interesting facts

Interesting Facts About Ethyl N-[4-[[2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methylsulfanyl]phenyl]carbamate

This remarkable compound represents a complex class of chemical entities known for their biological activity. Here are some intriguing insights:

  • Diverse Applications: Ethyl N-[4-[[2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methylsulfanyl]phenyl]carbamate is frequently explored in pharmaceutical research. Its structure suggests potential use in antimicrobial or antiparasitic therapies.
  • Complex Structure: The compound features a dioxolane ring combined with an imidazole moiety, which is crucial in many biomolecules. This structural complexity allows for unique interactions at the molecular level.
  • Chlorinated Phenyl Groups: The inclusion of chlorinated phenyl groups not only enhances the molecular stability but also increases the lipophilicity, potentially improving bioavailability in pharmacological contexts.
  • Sulfanyl Group Significance: The sulfur atom contributes to the compound's reactivity, making it a focal point for chemical transformations and the synthesis of derivative compounds.
  • Research Frontiers: Researchers are particularly interested in examining how such compounds can lead to the development of new drugs by modifying parts of its structure to optimize performance against various diseases.

To sum up, ethyl N-[4-[[2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methylsulfanyl]phenyl]carbamate embodies the intricate dance between structure and function in medicinal chemistry, highlighting the importance of chemical diversity in exploring and improving therapeutic agents.

Synonyms
Tubulozole
CHEBI:83931
NSC-376450
Tubulozol
ethyl [4-({[2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl}sulfanyl)phenyl]carbamate
ethyl N-[4-[[2-(2,4-dichlorophenyl)-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methylsulfanyl]phenyl]carbamate
ethyl (4-(2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-ylmethylthio)phenyl)carbamate
CHEMBL2220475
SCHEMBL11113473
DTXSID50868834
NSC376450
Q27157338
ethyl [4-({[2-(2,4-dichlorophenyl)-2-(1H-imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl}sulfanyl)phenyl]carbamate
Ethyl {4-[({2-(2,4-dichlorophenyl)-2-[(1H-imidazol-1-yl)methyl]-1,3-dioxolan-4-yl}methyl)sulfanyl]phenyl}carbamate