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Acetylthioestradiol

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Identification
Molecular formula
C21H28O2
CAS number
1247-64-5
IUPAC name
S-[(1S,7R,8S,9S,10R,13S,14S,17S)-1-acetylsulfanyl-17-hydroxy-10,13,17-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-7-yl] ethanethioate
State
State

At room temperature, Acetylthioestradiol is generally found in a solid state as a crystalline powder.

Melting point (Celsius)
130.50
Melting point (Kelvin)
403.60
Boiling point (Celsius)
388.30
Boiling point (Kelvin)
661.50
General information
Molecular weight
348.55g/mol
Molar mass
348.5460g/mol
Density
1.1500g/cm3
Appearence

Acetylthioestradiol is typically a white to off-white crystalline powder that is insoluble in water, but may have solubility in various organic solvents depending on the specific formulation.

Comment on solubility

Solubility of S-[(1S,7R,8S,9S,10R,13S,14S,17S)-1-acetylsulfanyl-17-hydroxy-10,13,17-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-7-yl] ethanethioate

The solubility of S-[(1S,7R,8S,9S,10R,13S,14S,17S)-1-acetylsulfanyl-17-hydroxy-10,13,17-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-7-yl] ethanethioate can be influenced by various factors due to its complex molecular structure. As with many organic compounds, the solubility is predominantly determined by the following aspects:

  • Polarity: The presence of both hydrophilic (water-attracting) and hydrophobic (water-repelling) functional groups affects how well the compound dissolves in different solvents.
  • Temperature: Generally, as temperature increases, the solubility of solid solutes in liquids tends to improve, but the behavior can vary based on the specific interactions within the compound.
  • Solvent Choice: The compound may demonstrate different solubility behaviors in various solvents, including water, ethanol, or organic solvents, which can be significant for practical applications.

In conclusion, the solubility of this complex compound is expected to be limited in water owing to its large hydrocarbon structure, yet it may be more soluble in organic solvents. Understanding its solubility is key for applications in chemical synthesis or pharmaceuticals, where precise solubility data can lead to better outcomes in formulation and delivery.

Interesting facts

Interesting Facts About S-[(1S,7R,8S,9S,10R,13S,14S,17S)-1-acetylsulfanyl-17-hydroxy-10,13,17-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-7-yl] ethanethioate

The compound S-[(1S,7R,8S,9S,10R,13S,14S,17S)-1-acetylsulfanyl-17-hydroxy-10,13,17-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-7-yl] ethanethioate exhibits remarkable structural complexity and is of great interest in organic and medicinal chemistry.

Key Characteristics:

  • Stereochemistry: This compound features multiple stereogenic centers, making it a chiral molecule. The various configurations around these centers could influence its biological activity.
  • Biological Relevance: This compound may share structural similarities with naturally occurring steroids or steroid-like compounds, which play critical roles in biological systems, influencing various physiological processes.
  • Potential Applications: Due to the presence of sulfur and its functional groups, this compound may have applications in drug development, particularly in targeting specific enzymes or receptors in the body.

As the field of medicinal chemistry expands, the importance of compounds like this one grows, encouraging scientists to explore their potential therapeutic effects and mechanisms of action. Challenging the traditional boundaries of drug design, structurally complex molecules can lead to the discovery of novel pharmaceutical agents.

Quote to Inspire:

"Chemistry is not just about elements and compounds; it's about understanding the dance of atoms and how their arrangements can change the world." - Anonymous

Overall, studying such intricate compounds can reveal the hidden connections between structure and function, enriching our understanding of chemistry and its applications in real-world scenarios.

Synonyms
Tiomesterone
Thiomesterone
Thiomestrone
Emdabolin
2205-73-4
Tiomesterona
Embadol
Protabol
STA-307
Tiomesterona [INN-Spanish]
Tiomesterone [INN]
Tiomesteronum
Tiomesteronum [INN-Latin]
ST A 307
EINECS 218-614-4
Tiomesterone [INN:BAN]
TIOMESTERONE [MI]
TIOMESTERONE [WHO-DD]
UNII-W5K3712F4H
DTXSID50176527
1alpha,7alpha-Diacetylthio 17beta-hydroxy-17-methylandrost-4-en-3-one
Tiomesteronum (INN-Latin)
Tiomesterona (INN-Spanish)
Androst-4-en-3-one, 17-beta-hydroxy-1-alpha,7-alpha-dimercapto-17-methyl-, 1,7-diacetate
DTXCID1099018
1.alpha.,7.alpha.-Bis(acetylthio)-17.beta.-hydroxy-17.alpha.-methyl-4-androsten-3-one
1.alpha.,7.alpha.-Diacetylthio 17.beta.-hydroxy-17-methylandrost-4-en-3-one
1.alpha.,7.alpha.-Diacetylthio-17.beta.-hydroxy-17.alpha.-methylandrost-4-en-3-one
Androst-4-en-3-one, 1,7-bis(acetylthio)-17-hydroxy-17-methyl-, (1.alpha.,7.alpha.,17.beta.)-
Androst-4-en-3-one, 17-.beta.-hydroxy-1-.alpha.,7-.alpha.-dimercapto-17-methyl-, 1,7-diacetate
1alpha,7alpha-Diacetylthio-17beta-hydroxy-17alpha-methylandrost-4-en-3-one
1alpha,7alpha-Bis(acetylthio)-17beta-hydroxy-17alpha-methyl-4-androsten-3-one
Androst-4-en-3-one, 1,7-bis(acetylthio)-17-hydroxy-17-methyl-, (1alpha,7alpha,17beta)-
17 beta-hydroxy-1 alpha,7 alpha-dimercapto-17 alpha-methyl-4-androsten-3-one-1 alpha,7 alpha-diacetate
218-614-4
yuozkolalxnels-uhfffaoysa-n
Emdabol
W5K3712F4H
S-[(1S,7R,8S,9S,10R,13S,14S,17S)-1-acetylsulfanyl-17-hydroxy-10,13,17-trimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-7-yl] ethanethioate
Tiomesteron
SCHEMBL547615
CHEMBL2104540
CHEBI:135733
YUOZKOLALXNELS-SQVYRKCQSA-N
NS00027037
Q7808720
17 beta-hydroxy-1 alpha,7 alpha- dimercapto-17 alpha-methyl-4-androsten-3-one- 1 alpha,7 alpha-diacetate