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CS-W001157 4
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2-(Ethylsulfonyl)acetonitrile

  • CAS No. 13654-62-1

  • Cat. No. CS-0045636
  • Purity≥97%
  • MDL No.MFCD11934304

*For research and further manufacturing use only, not for direct human use.

2-(Ethylsulfonyl)acetonitrile|CS-0045636

Structure of 13654-62-1

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General Information

  • CAS No. 13654-62-1
  • Cat. No. CS-0045636
  • Purity ≥97%
  • MDL No. MFCD11934304
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄H₇NO₂S
  • Molecular Weight 133.17
  • Synonym(s) Ethylsulfonylacetonitrile
  • SMILES N#CCS(=O)(CC)=O

Description

2-(Ethylsulfonyl)acetonitrile features a dual functional group architecture combining a nitrile and a sulfonylethyl moiety, enabling selective conjugate additions and electrophilic transformations. This bench-stable reagent integrates readily into synthetic sequences requiring polar, electron-withdrawing handles, offering enhanced solubility in common organic solvents and compatibility with diverse reaction conditions.

Application

2-(Ethylsulfonyl)acetonitrile serves as a versatile synthon in medicinal chemistry, enabling the efficient construction of sulfonamide-containing heterocycles and bioactive scaffolds. Its dual functionality—electron-withdrawing nitrile and stable ethylsulfonyl group—facilitates nucleophilic substitution and condensation reactions with high chemoselectivity. The compound exhibits excellent bench stability and compatibility with standard purification methods, making it well-suited for multi-step synthesis and process-scale applications.

Safety Information

Download SDS
GHS Pictogram :
GHS No : GHS07
Signal Word : Warning
UN#: N/A
Class : N/A
Packing Group : N/A
Hazard Statements : H302-H312-H332
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P501

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Computational Chemistry Data

  • TPSA   57.93
  • LogP   -0.05532
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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