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CS-W001157 4
Total: USD 88.00

2-Chloro-1,3-thiazole-4-carbonitrile

  • CAS No. 944124-72-5

  • Cat. No. CS-0054448
  • Purity≥96%
  • MDL No.None

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

2-Chloro-1,3-thiazole-4-carbonitrile|CS-0054448

Structure of 944124-72-5

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General Information

  • CAS No. 944124-72-5
  • Cat. No. CS-0054448
  • Purity ≥96%
  • MDL No. None
  • Storage 4°C, stored under nitrogen
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₄HClN₂S
  • Molecular Weight 144.58
  • Synonym(s) 2-Chlorothiazole-4-carbonitrile
  • SMILES N#CC1=CSC(Cl)=N1

Description

2-Chloro-1,3-thiazole-4-carbonitrile features a dual functionalization pattern with chlorine and nitrile groups at adjacent positions on the thiazole ring. This electron-deficient heterocycle serves as a key scaffold for medicinal chemistry applications, enabling direct incorporation into bioactive molecules through nucleophilic substitution or transition-metal-catalyzed coupling reactions.

Application

2-Chloro-1,3-thiazole-4-carbonitrile serves as a versatile building block in heterocyclic synthesis, enabling efficient access to functionalized thiazole scaffolds. Its dual electrophilic sites—chlorine at C2 and nitrile at C4—facilitate sequential nucleophilic substitutions, palladium-catalyzed couplings, and cyclization reactions. The compound exhibits good bench stability and is compatible with common reaction conditions, making it valuable for medicinal chemistry campaigns and API intermediate development.

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-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501

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Computational Chemistry Data

  • TPSA   36.68
  • LogP   1.66818
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   0

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