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Thiotepa

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Identification
Molecular formula
C6H12N3OPS2
CAS number
52-24-4
IUPAC name
S-[3-carbamoylsulfanyl-2-(dimethylamino)propyl] carbamothioate
State
State

At room temperature, thiotepa is typically in a solid state.

Melting point (Celsius)
52.50
Melting point (Kelvin)
325.70
Boiling point (Celsius)
350.00
Boiling point (Kelvin)
623.00
General information
Molecular weight
189.26g/mol
Molar mass
189.2560g/mol
Density
1.2000g/cm3
Appearence

Thiotepa is a colorless crystalline solid.

Comment on solubility

Solubility of S-[3-carbamoylsulfanyl-2-(dimethylamino)propyl] carbamothioate

The solubility of S-[3-carbamoylsulfanyl-2-(dimethylamino)propyl] carbamothioate can be characterized as follows:

  • Solvent Compatibility: This compound is expected to exhibit reasonable solubility in polar solvents due to the presence of both carbamoyl and thioate functional groups, which can engage in hydrogen bonding.
  • Temperature Influence: Generally, increased temperature may enhance the solubility of organic compounds. Therefore, heating the solvent could result in greater dissolving capacity for this thioate.
  • pH Sensitivity: The solubility might also vary with pH; a more acidic or alkaline environment could modify the ionic state of the compound and, in turn, affect its dissolution.
  • Complex Formation: The potential for complex formation with metals or other salts can also influence solubility behavior; thus, it may be useful to explore such interactions.
  • Common Solvents: Likely candidates for effective dissolution include:
    • Water (especially if heated)
    • Dimethyl sulfoxide (DMSO)
    • Ethanol

To sum up, while specific solubility data for S-[3-carbamoylsulfanyl-2-(dimethylamino)propyl] carbamothioate may vary, it is plausible to anticipate that its solubility in polar solvents is moderate, influenced by temperature and pH, with potential for interesting interactions in various chemical environments.

Interesting facts

Interesting Facts about S-[3-carbamoylsulfanyl-2-(dimethylamino)propyl] carbamothioate

S-[3-carbamoylsulfanyl-2-(dimethylamino)propyl] carbamothioate is a compound filled with intriguing characteristics, particularly in the realms of medicinal and agricultural chemistry. Here are some fascinating aspects of this compound:

  • Dual Functionality: This compound exhibits properties that may enable it to serve dual roles—both as a potential therapeutic agent and a pesticide. Its structural components suggest that it may interact with biological systems in unique ways.
  • Sulfur Backbone: The presence of sulfur in its structure is significant. Sulfur-containing compounds are known for their reactivity and versatility, often being integral to biological processes. This could indicate potential for activity in biological systems or as a catalyst in chemical reactions.
  • Dimethylamino Group: The dimethylamino group enhances the compound's ability to interact with biological molecules. As a nucleophilic site, it may facilitate reactions that could lead to novel medicinal applications. This feature is particularly valued in drug design.
  • Carbamothioate Linkage: The carbamothioate functional group hints at interesting reactivity, as these types of compounds can act as inhibitors in enzyme reactions, opening avenues for pharmacological research.
  • Potential Agricultural Uses: Given its functionalities, this compound may also show promise in agricultural chemistry, potentially serving as a new class of agrochemicals designed to protect crops from pests.
  • Research Interests: Owing to its molecular structure, researchers are keen on investigating its interaction with not only pests but also various biological targets, which could lead to breakthroughs in synthetic and medicinal chemistry.
  • Environmental Impact Studies: As with many novel compounds, understanding its environmental behavior and degradation products is essential for assessing its safety and sustainability in agricultural applications.

In summary, S-[3-carbamoylsulfanyl-2-(dimethylamino)propyl] carbamothioate embodies the convergence of synthetic innovation and scientific exploration. As research continues, this compound may reveal new possibilities across various scientific disciplines.

Synonyms
Cartap
15263-53-3
1,3-Di(carbamoylthio)-2-dimethylaminopropane
2-Dimethylamino-1,3-bis(carbamoylthio)propane
carbamothioic acid, S,S'-(2-(dimethylamino)-1,3-propanediyl) ester
1,3-Bis(carbamoylthio)-2-(N,N-dimethylamino)propane
S,S'-(2-Dimethylaminotrimethylene) bis(thiocarbamate)
CHEBI:3436
Z45YUY784H
DTXSID4044165
CARBAMIC ACID, THIO-, S,S'-(2-(DIMETHYLAMINO)TRIMETHYLENE) ESTER
S,S'-[2-(dimethylamino)propane-1,3-diyl] bis(thiocarbamate)
Carbamothioic acid, S,S'-[2-(dimethylamino)-1,3-propanediyl] ester
S,S'-(2-(dimethylamino)propane-1,3-diyl) bis(thiocarbamate)
DTXCID2024165
620-418-2
S-[3-carbamoylsulfanyl-2-(dimethylamino)propyl] carbamothioate
S,S'-(2-(dimethylamino)-1,3-propanediyl) dicarbamothioate
Thiobel
Sanvex
Cartap [BSI:ISO]
T-1258
BRN 1954913
UNII-Z45YUY784H
S,S'-(2-(Dimethylamino)-1,3-propanediyl)dicarbamothioate
CARTAP [ISO]
CARTAP [MI]
SCHEMBL25918
1,3-bis(carbamoylthio)-2-N,N-(dimethylamino)propane
CHEMBL1436987
Cartap 100 microg/mL in Methanol
S-(3-carbamoylsulfanyl-2-dimethylaminopropyl) aminomethanethioate
Carbamothioic acid, SC,SC'-[2-(dimethylamino)-1,3-propanediyl] ester
AKOS015898730
NCGC00166201-01
AS-85808
DA-51598
HY-136395
CS-0129008
NS00002515
E78692
A809338
S-[3-aminocarbonylsulfanyl-2-(dimethylamino)propyl] carbamothioate
carbamothioic acid S-[3-(carbamoylthio)-2-(dimethylamino)propyl] ester
CARBAMOTHIOIC ACID SC,SC'-(2-(DIMETHYLAMINO)-1,3-PROPANEDIYL) ESTER