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Disulfiram

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Identification
Molecular formula
C10H20O4S2
CAS number
97-77-8
IUPAC name
4-(2-sulfanylacetyl)oxybutyl 2-sulfanylacetate
State
State

At room temperature, Disulfiram is a solid.

Melting point (Celsius)
70.20
Melting point (Kelvin)
343.35
Boiling point (Celsius)
329.20
Boiling point (Kelvin)
602.35
General information
Molecular weight
296.55g/mol
Molar mass
296.5450g/mol
Density
1.1880g/cm3
Appearence

Disulfiram appears as white to off-white crystals or crystalline powder. It is practically odorless, or may have a faint odor of rubber.

Comment on solubility

Solubility of 4-(2-sulfanylacetyl)oxybutyl 2-sulfanylacetate

The solubility of 4-(2-sulfanylacetyl)oxybutyl 2-sulfanylacetate (C10H20O4S2) is influenced by its unique chemical structure. This compound contains both hydrophilic and hydrophobic regions, which can affect its interaction with solvents.


Factors Affecting Solubility:

  • Presence of Sulfur Atoms: The inclusion of sulfur atoms typically increases the compound’s ability to form hydrogen bonds with water, enhancing solubility in polar solvents.
  • Functional Groups: The acetyl and hydroxyl groups contribute to its solubility, as they can interact favorably with water molecules.
  • Hydrophobic Interactions: The butyl group can reduce solubility in aqueous environments due to its hydrophobic nature.

In summary, while 4-(2-sulfanylacetyl)oxybutyl 2-sulfanylacetate shows potential for solubility in polar solvents due to its functional groups, the presence of hydrophobic regions may limit its overall solubility in purely aqueous environments. Consequently, one might say it has a moderate solubility profile.

Interesting facts

Interesting Facts about 4-(2-Sulfanylacetyl)oxybutyl 2-Sulfanylacetate

4-(2-Sulfanylacetyl)oxybutyl 2-sulfanylacetate is a fascinating compound that showcases the intricate relationship between organic chemicals and biological activity. Here are some engaging aspects of this compound:

  • Biological Significance: This compound is notable for its potential applications in pharmaceuticals and biochemistry, especially regarding its role in synthetic pathways for drugs.
  • Functional Group Diversity: The presence of both -S- (sulfanyl) and -O- (alkoxy) groups enhances the compound's reactivity, making it a subject of interest for organic synthesis.
  • Structure-Activity Relationship: Understanding how the structure of 4-(2-sulfanylacetyl)oxybutyl 2-sulfanylacetate influences its biological activity can lead to the development of new therapeutics.
  • Application in Agriculture: Compounds like this one can also serve in agricultural fields as pesticides or in the formulation of plant protectants, where sulfanyl groups may contribute to bioactivity.

Potential Research Areas

The unique combination of functional groups opens new avenues for research:

  • Drug Design: Investigating the metabolic pathways that involve this compound could lead to innovative drug formulations.
  • Chemical Synthesis: Exploring various synthetic routes to produce this compound can enhance understanding in organic chemistry.
  • Ecological Impact: Studying the environmental influence and biodegradability of this compound will be crucial for assessing its safety in agricultural applications.

In conclusion, 4-(2-sulfanylacetyl)oxybutyl 2-sulfanylacetate is not merely a complex chemical compound; it serves as a platform for innovative applications spanning different scientific fields.

Synonyms
10193-95-0
Acetic acid, 2-mercapto-, 1,1'-(1,4-butanediyl) ester
Acetic acid, mercapto-, 1,4-butanediyl ester
1,4-Butanediol dithioglycolate
Tetramethylene mercaptoacetate
1,4-Butanediol, bis(mercaptoacetate)
Tetramethylene bis(thioglycolate)
Tetramethylene bis(mercaptoacetate)
EINECS 233-479-1
Butylene glycol, bis(mercaptoacetate)
Mercaptoacetic acid, 1,4-butanediyl diester
ACETIC ACID, MERCAPTO-, TETRAMETHYLENE ESTER
DTXSID8064987
DTXCID9032662
1,4-Butanediol Bis(thioglycolate)
1,4-Butanediyl bis(mercaptoacetate)
4-(2-sulfanylacetyl)oxybutyl 2-sulfanylacetate
1,4-Bis(mercaptoacetoxy)butane
4-[(2-SULFANYLACETYL)OXY]BUTYL 2-SULFANYLACETATE
Butane-1,4-diyl bis(2-mercaptoacetate)
1,4-ButanediolBis(thioglycolate)
MFCD00266655
RWC9VY783J
SCHEMBL60931
KAA19395
AKOS024332116
1,4-butanediol bis(2-mercaptoacetate)
AS-69312
B3423
NS00023088
1,4-Butanediol Bis(thioglycolate), >/=95%
E78801
MERCAPTO-ACETIC ACID 4-MERCAPTOACETOXY-BUTYL ESTER