Cas no 845879-11-0 (4-Amino-2-benzylthio-5-nitrothiazole)

4-Amino-2-benzylthio-5-nitrothiazole is a nitro-substituted thiazole derivative with a benzylthio functional group, offering unique reactivity and structural versatility in synthetic chemistry. Its nitro and amino groups provide sites for further functionalization, making it valuable for constructing complex heterocyclic frameworks. The benzylthio moiety enhances solubility in organic solvents, facilitating its use in coupling reactions or as an intermediate in pharmaceutical and agrochemical research. This compound’s well-defined structure and stability under controlled conditions make it suitable for applications in medicinal chemistry, particularly in the development of bioactive molecules. Its synthetic utility is underscored by its role in nucleophilic substitution and cyclization reactions.
4-Amino-2-benzylthio-5-nitrothiazole structure
845879-11-0 structure
Product Name:4-Amino-2-benzylthio-5-nitrothiazole
CAS No:845879-11-0
MF:C10H9N3O2S2
MW:267.3299
CID:4660071
Update Time:2025-10-23

4-Amino-2-benzylthio-5-nitrothiazole Chemical and Physical Properties

Names and Identifiers

    • 4-AMINO-2-BENZYLTHIO-5-NITROTHIAZOLE
    • 4-Thiazolamine, 5-nitro-2-[(phenylmethyl)thio]-
    • 4-Amino-2-benzylthio-5-nitrothiazole
    • Inchi: InChI=1S/C10H9N3O2S2/c11-8-9(13(14)15)17-10(12-8)16-6-7-4-2-1-3-5-7/h1-5H,6,11H2
    • InChI Key: WISBWMOOHWHVCJ-UHFFFAOYSA-N
    • SMILES: C1=CC=C(C=C1)CSC2=NC(=C([N+](=O)[O-])S2)N

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 4

Experimental Properties

  • Melting Point: 160-162°C

4-Amino-2-benzylthio-5-nitrothiazole Pricemore >>

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