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2-Cyclohexylsulfanylisoindoline-1,3-dione

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Identification
Molecular formula
C14H15NO2S
CAS number
13227-68-4
IUPAC name
2-cyclohexylsulfanylisoindoline-1,3-dione
State
State

At room temperature, 2-Cyclohexylsulfanylisoindoline-1,3-dione is a solid. It is stable under normal conditions and typically does not exhibit any significant volatility.

Melting point (Celsius)
88.00
Melting point (Kelvin)
361.00
Boiling point (Celsius)
305.00
Boiling point (Kelvin)
578.00
General information
Molecular weight
261.35g/mol
Molar mass
261.3540g/mol
Density
1.3428g/cm3
Appearence

2-Cyclohexylsulfanylisoindoline-1,3-dione typically appears as a white or almost white crystalline powder. The crystalline structure can be very fine, providing a slightly glossy appearance.

Comment on solubility

Solubility of 2-Cyclohexylsulfanylisoindoline-1,3-dione

The solubility of 2-cyclohexylsulfanylisoindoline-1,3-dione presents some intriguing characteristics that are noteworthy for its potential applications. Understanding its solubility behavior is crucial for predicting how this compound interacts in various environments.

Factors Influencing Solubility

Several factors can influence the solubility of this compound:

  • Polarity: The presence of a sulfanyl group may enhance polar interactions, which can affect solubility in polar solvents.
  • Hydrogen Bonding: The compound may engage in hydrogen bonding with solvents, facilitating solubility in some cases.
  • Temperature: Typically, an increase in temperature may enhance solubility for many organic compounds, which could apply to this molecule as well.

Expected Solubility Profile

Due to its complex structure, the solubility might be moderately low in water but potentially more substantial in organic solvents such as:

  • Dimethyl sulfoxide (DMSO)
  • Ethanol
  • Acetone

In summary, while the specific solubility data for 2-cyclohexylsulfanylisoindoline-1,3-dione may be limited, it's essential to consider both its structural components and the environments in which it is intended to be used. Its solubility behavior can thus be understood as a contributing factor to its reactivity and utility in various chemical formulations.

Interesting facts

Interesting Facts about 2-Cyclohexylsulfanylisoindoline-1,3-dione

2-Cyclohexylsulfanylisoindoline-1,3-dione is an intriguing compound that showcases the fascinating interplay between structure and function in organic chemistry. This molecule belongs to a class of compounds known for their diverse biological activities, making them of considerable interest in medicinal chemistry.

1. Structural Characteristics

  • Cyclic Nature: The presence of a cyclohexyl group creates a unique steric environment, influencing how this compound interacts with biological targets.
  • Sulfur Element: The inclusion of a sulfanyl group adds a layer of complexity that can enhance the molecule's reactivity, potentially leading to unique chemical behaviors.

2. Biological Relevance

This compound's structure is theorized to contribute to various biological activities, making it a candidate for further research in pharmacology. Scientists are particularly interested in:

  • Anticancer Properties: Some isoindoline derivatives have shown promise as anticancer agents, suggesting that 2-cyclohexylsulfanylisoindoline-1,3-dione may follow suit.
  • Antimicrobial Activity: Given its unique structure, researchers are investigating potential antimicrobial effects, which could be useful in addressing drug resistance.

3. Synthetic Pathways

Synthesizing this compound involves advanced organic reactions, primarily focusing on:

  • Cyclization Reactions: These reactions are crucial for forming the isoindoline core.
  • Functionalization: Introducing the cyclohexyl and sulfanyl groups requires skilled manipulation of reaction conditions.

4. Theoretical Studies

Computational chemistry plays a vital role in predicting and understanding the properties of 2-cyclohexylsulfanylisoindoline-1,3-dione. Theoretical models can help scientists:

  • Predict Reactivity: By understanding the electronic structure, researchers can anticipate how this compound will behave under different conditions.
  • Explore Derivatives: Modifying the structure can lead to the discovery of analogs with improved efficacy or reduced toxicity.

In summary, 2-cyclohexylsulfanylisoindoline-1,3-dione is more than just a chemical formula; it is a gateway to exciting research opportunities. As scientists delve deeper into its properties and potential applications, this compound may reveal new insights into both organic chemistry and medicinal development.

Synonyms
17796-82-6
N-(Cyclohexylthio)phthalimide
1H-Isoindole-1,3(2H)-dione, 2-(cyclohexylthio)-
Santogard PVI
N-Cyclohexylsulfenylphthalimide
Phthalimide, N-(cyclohexylthio)-
CP 29242
DTXSID8027793
50Z9596NJ3
DTXCID007793
2-(CYCLOHEXYLTHIO)-1H-ISOINDOLE-1,3(2H)-DIONE
N-CHTP
cyclohexyl thiophthalimide
241-774-1
2-(Cyclohexylthio)isoindoline-1,3-dione
Cyclohexylthiophthalimide
2-cyclohexylsulfanylisoindole-1,3-dione
Cyclohexyl N-Phthalimidyl Sulfide
2-(cyclohexylsulfanyl)-2,3-dihydro-1H-isoindole-1,3-dione
MFCD00072247
N-cyclohexylthiophthalimide
MLS000054273
SMR000066211
Santogard PVI-DS
CAS-17796-82-6
HSDB 7259
EINECS 241-774-1
BRN 0613992
n-(cyclohexylthio) phthalimide
CCRIS 8493
UNII-50Z9596NJ3
2-cyclohexylsulfanylisoindoline-1,3-dione
regid3714947
EC 241-774-1
Oprea1_037917
SCHEMBL79946
5-21-11-00117 (Beilstein Handbook Reference)
cid_28777
CHEMBL1532794
SCHEMBL29373092
BDBM88574
UEZWYKZHXASYJN-UHFFFAOYSA-
HMS1725M16
HMS2191K11
Tox21_201540
Tox21_303596
AKOS001032680
2-(cyclohexylthio)isoindole-1,3-dione
NCGC00036798-02
NCGC00257252-01
NCGC00259090-01
AS-67284
2-(cyclohexylthio)isoindoline-1,3-quinone
DB-044317
CS-0155316
N-(CYCLOHEXYLTHIO)PHTHALIMIDE [HSDB]
NS00006229
EN300-16943
D70347
SR-01000032502
2-(cyclohexylsulfanyl)-1H-isoindole-1,3(2H)-dione
Q5198723
SR-01000032502-1
Z56827700
2-(Cyclohexylsulfanyl)-1H-isoindole-1,3(2H)-dione, AldrichCPR
InChI=1/C14H15NO2S/c16-13-11-8-4-5-9-12(11)14(17)15(13)18-10-6-2-1-3-7-10/h4-5,8-10H,1-3,6-7H2