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CS-W001157 4
Total: USD 88.00

4-Benzothiazolamine

  • CAS No. 1123-51-9

  • Cat. No. CS-0005610
  • Purity≥98%
  • MDL No.MFCD00672135

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

4-Benzothiazolamine|CS-0005610

Structure of 1123-51-9

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General Information

  • CAS No. 1123-51-9
  • Cat. No. CS-0005610
  • Purity ≥98%
  • MDL No. MFCD00672135
  • Storage 4°C, protect from light
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₇H₆N₂S
  • Molecular Weight None
  • Synonym(s) NSC 170680; Benzothiazole-4-ylaMine
  • SMILES NC1=C2N=CSC2=CC=C1

Description

4-Benzothiazolamine features a benzothiazole core with a primary amine handle, enabling direct conjugation in bioconjugation workflows. This electron-rich scaffold enhances reactivity in nucleophilic substitution and coupling reactions. The compound exhibits bench-stable behavior under standard conditions and integrates readily into functionalized probes for chemical biology applications.

Application

4-Benzothiazolamine serves as a versatile building block in medicinal chemistry, enabling the synthesis of benzothiazole-based scaffolds prevalent in bioactive molecules. Its amine functionality facilitates direct coupling reactions, while the heterocyclic core offers robust stability and favorable electronic properties for downstream functionalization. The compound functions effectively in standard amide bond formation, reductive amination, and transition-metal-catalyzed cross-couplings, supporting efficient access to complex heterocyclic architectures.

Synthesis

  • Route1

    References

    • J. Gen. Chem. USSR (Engl. Transl.), , vol. 30, p. 1363 - 1366,1394 - 1397
  • Route2

    References

    • Phytochemistry, , vol. 74, p. 159 - 165
  • Route3
    • null|null
      141075-07-2
    • ~%
    • In-stock
      4-Benzothiazolamine|CS-0005610
      1123-51-9

    References

    • Phytochemistry, , vol. 74, p. 159 - 165

Safety Information

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GHS Pictogram : N/A
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Signal Word : N/A
UN#: N/A
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Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

  • TPSA   38.91
  • LogP   1.8785
  • H_Acceptors   3
  • H_Donors   1
  • Rotatable_Bonds   0

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