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Thiotepa

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Identification
Molecular formula
C6H12N3PS
CAS number
52-24-4
IUPAC name
azepan-1-yl-bis(aziridin-1-yl)-thioxo-lambda5-phosphane
State
State

Thiotepa is in a solid state at room temperature. It is typically handled in its crystalline form for pharmaceutical and research applications.

Melting point (Celsius)
51.00
Melting point (Kelvin)
324.15
Boiling point (Celsius)
290.00
Boiling point (Kelvin)
563.15
General information
Molecular weight
189.25g/mol
Molar mass
189.2490g/mol
Density
1.2882g/cm3
Appearence

Thiotepa is typically found as a white crystalline solid. Its fine crystalline texture can sometimes appear as an off-white powder.

Comment on solubility

Solubility of azepan-1-yl-bis(aziridin-1-yl)-thioxo-lambda5-phosphane

When discussing the solubility of azepan-1-yl-bis(aziridin-1-yl)-thioxo-lambda5-phosphane, several factors come into play, primarily influenced by its structural characteristics and the presence of functional groups. Here are some of the key considerations:

  • Polarity: The compound incorporates various functional groups, potentially contributing to both polar and non-polar character, impacting its solubility in different solvents.
  • Solvent Interaction: Solubility can be significantly enhanced by choosing solvents that can effectively interact with the azepan and aziridine rings, such as:
    • Polar aprotic solvents
    • Organic solvents like DMSO or DMF
  • Stability: The stability of the compound in solution may vary, and degradation products could influence solubility behavior.
  • Concentration Effects: At higher concentrations, the solubility may also be affected by intermolecular interactions among the molecules themselves.

In summary, while there may not be extensive literature available on the solubility of this specific compound, it is reasonable to emphasize that its solubility will be largely dictated by the interaction of its functional groups with the solvent, and understanding these interactions is essential for predicting its behavior in various environments. "Like dissolves like" remains a guiding principle in assessing its potential solubility.

Interesting facts

Interesting Facts About Azepan-1-yl-bis(aziridin-1-yl)-thioxo-lambda5-phosphane

Azepan-1-yl-bis(aziridin-1-yl)-thioxo-lambda5-phosphane is a fascinating compound that showcases the intriguing world of phosphorus chemistry. This compound contains both azepane and aziridine rings, which contribute to its unique structure and properties.

Key Features

  • Diverse Structure: The presence of a 7-membered azepane ring along with two 3-membered aziridine rings allows for interesting steric and electronic interactions.
  • Thioxo Group: The thioxo (−S=) functional group in this compound enhances its reactivity and makes it a potential candidate for applications in organophosphorus chemistry.
  • Applications in Synthesis: Due to its unique reactivity, derivatives of this compound can be useful in synthetic organic chemistry, particularly in creating complex molecules.
  • Biological Interest: Compounds containing phosphorus are known for their biological activities. The phosphane moiety in this compound opens avenues for exploring potential medicinal applications.

Chemistry Insights

Chemists are particularly interested in compounds like azepan-1-yl-bis(aziridin-1-yl)-thioxo-lambda5-phosphane due to the following reasons:

  • Phosphorus Compounds: They are often critical in the development of pesticides and pharmaceuticals.
  • Reactivity: The reactivity of phosphorus-based compounds can lead to the development of new catalysts for various chemical reactions.
  • Research Potential: Understanding the behavior of this compound may unveil new pathways in medicinal chemistry and materials science.

In conclusion, the compound azepan-1-yl-bis(aziridin-1-yl)-thioxo-lambda5-phosphane embodies a blend of structural complexity and potential applications that can intrigue both students and researchers in the fields of chemistry and pharmaceutical science.

Synonyms
N-Hexamethylene N',N''-diethylene thiophosphoramide
152-01-2
UNII-9WSS9AT4GL
9WSS9AT4GL
KC-33
NSC 42072
NSC 62717
NSC-42072
NSC-62717
MLS002608360
1H-Azepine, 1-(bis(1-aziridinyl)phosphinothioyl)hexahydro-
DTXSID50164924
1H-Azepine, 1-[bis(1-aziridinyl)phosphinothioyl]hexahydro-
KC 33
Phosphine sulfide, (hexahydro-1-azepinyl)bis(1-aziridinyl)-
MP 101-14B
D 110
Phosphine sulfide, bis(1-aziridinyl)hexahydroazepin-1-yl-
NCIOpen2_002859
CHEMBL1716264
DTXCID3087415
HMS3092F09
NSC42072
NSC62717
SMR001527109
Q27273324
Phosphine sulfide, bis(1-aziridinyl)(hexahydro-1H-azepin-1-yl)-