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AB72354

1122-82-3 | Cyclohexyl isothiocyanate

Packsize Purity Availability Price Discounted Price    Quantity
1g 95% in stock $25.00 $17.00 -   +
5g 95% in stock $28.00 $20.00 -   +
25g 95% in stock $41.00 $29.00 -   +

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Description
Catalog Number: AB72354
Chemical Name: Cyclohexyl isothiocyanate
CAS Number: 1122-82-3
Molecular Formula: C7H11NS
Molecular Weight: 141.23393999999996
MDL Number: MFCD00003841
SMILES: S=C=NC1CCCCC1
NSC Number: 60129

 

Computed Properties
Complexity: 121  
Covalently-Bonded Unit Count: 1  
Heavy Atom Count: 9  
Hydrogen Bond Acceptor Count: 2  
Rotatable Bond Count: 1  
XLogP3: 3.4  

 

 

Upstream Synthesis Route 
  • Cyclohexyl isothiocyanate, also known as CHITC, plays a crucial role in chemical synthesis as a versatile reagent with wide-ranging applications. This compound is commonly employed in organic synthesis for the formation of various functional groups and chemical transformations. CHITC is particularly valued for its ability to introduce the isothiocyanate moiety into organic molecules, allowing for the creation of diverse structures and functionalities.One of the key applications of cyclohexyl isothiocyanate is in the synthesis of thioureas, thioamides, and thiocarbamates. By reacting with amines or other nucleophiles, CHITC can facilitate the formation of these sulfur-containing compounds, which are important building blocks in the pharmaceutical and agrochemical industries. Additionally, cyclohexyl isothiocyanate is utilized in the preparation of heterocyclic compounds, such as thiazoles and thiophenes, through cyclization reactions.Moreover, CHITC can be employed in the modification of biomolecules, such as peptides and proteins, through the conjugation of the isothiocyanate group. This enables the functionalization of biomolecules for various applications, including bioconjugation, fluorescent labeling, and drug delivery systems. The reactivity of cyclohexyl isothiocyanate makes it a valuable tool in the development of novel materials and bioactive compounds with tailored properties and functionalities.Overall, the diverse applications of cyclohexyl isothiocyanate in chemical synthesis highlight its importance as a versatile reagent for enabling a wide range of transformations and derivatizations in organic chemistry.
Literature
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