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AA02591

1005-56-7 | Phenyl chlorothionocarbonate

Packsize Purity Availability Price Discounted Price    Quantity
5g 98% in stock $12.00 $9.00 -   +
10g 98% in stock $23.00 $17.00 -   +
25g 98% in stock $34.00 $24.00 -   +

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Description
Catalog Number: AA02591
Chemical Name: Phenyl chlorothionocarbonate
CAS Number: 1005-56-7
Molecular Formula: C7H5ClOS
Molecular Weight: 172.632
MDL Number: MFCD00004920
SMILES: ClC(=S)Oc1ccccc1
NSC Number: 99103

 

Computed Properties
Complexity: 121  
Covalently-Bonded Unit Count: 1  
Heavy Atom Count: 10  
Hydrogen Bond Acceptor Count: 2  
Rotatable Bond Count: 2  
XLogP3: 3.3  

 

 

Upstream Synthesis Route 
  • Phenyl chlorothionocarbonate, also known as PCTC, is a versatile reagent widely used in organic synthesis. This compound plays a crucial role in chemical reactions by acting as a chlorinating and thionating agent simultaneously.In chemical synthesis, Phenyl chlorothionocarbonate is employed for the conversion of alcohols to the corresponding chlorides or thiochlorides. This reaction involves the substitution of the hydroxyl group in alcohols with a chlorine or sulfur atom, resulting in the formation of chlorides or thiochlorides, respectively. This transformation is often utilized in the preparation of a variety of organic compounds, such as pharmaceuticals, agrochemicals, and materials.Furthermore, Phenyl chlorothionocarbonate is utilized in the synthesis of heterocyclic compounds, which are essential building blocks in medicinal chemistry. By incorporating PCTC into synthetic routes, chemists can introduce chloro and thio groups into aromatic or heterocyclic molecules, enabling the creation of diverse chemical structures with unique properties.Overall, Phenyl chlorothionocarbonate is a valuable reagent in chemical synthesis, offering chemists a versatile tool for functional group transformations and the efficient synthesis of complex organic molecules.
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