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CS-W001157 4
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2-Aminobenzothiazole-6-carbonitrile

  • CAS No. 19759-66-1

  • Cat. No. CS-W021580
  • Purity≥96%
  • MDL No.None

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

2-Aminobenzothiazole-6-carbonitrile|CS-W021580

Structure of 19759-66-1

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General Information

  • CAS No. 19759-66-1
  • Cat. No. CS-W021580
  • Purity ≥96%
  • MDL No. None
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₅N₃S
  • Molecular Weight 175.21
  • Synonym(s) Benzothiazole-6-carbonitrile
  • SMILES NC1=NC2=C(S1)C=C(C=C2)C#N

Description

2-Aminobenzothiazole-6-carbonitrile features a fused heterocyclic core with complementary amine and nitrile functionalities, enabling direct incorporation into bioactive scaffolds. The electron-deficient nitrile group enhances reactivity in nucleophilic addition processes, while the bench-stable amine facilitates derivatization under standard conditions. This compound serves as a key building block for pharmaceutical intermediates and functional materials.

Application

2-Aminobenzothiazole-6-carbonitrile serves as a versatile building block for heterocyclic synthesis, enabling efficient access to medicinally relevant scaffolds. Its dual functionality—amine and nitrile groups—facilitates diverse transformations, including amidation, cyclization, and metal-catalyzed coupling reactions. The molecule exhibits good bench stability and compatibility with standard purification methods, making it well-suited for iterative synthetic workflows in medicinal chemistry and process 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   62.7
  • LogP   1.75018
  • H_Acceptors   4
  • H_Donors   1
  • Rotatable_Bonds   0

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