Cas no 80945-72-8 (2-hydrazinyl-4,6-dimethyl-1,3-benzothiazole)

2-Hydrazinyl-4,6-dimethyl-1,3-benzothiazole is a heterocyclic compound featuring a benzothiazole core substituted with hydrazine and methyl groups at the 2, 4, and 6 positions. This structure imparts reactivity suitable for applications in organic synthesis, particularly as a building block for pharmaceuticals, agrochemicals, and coordination chemistry. The hydrazinyl group enables condensation reactions, facilitating the formation of hydrazones and other derivatives, while the methyl substitutions enhance stability and influence electronic properties. Its well-defined molecular framework makes it valuable for designing biologically active compounds or metal-chelating ligands. The compound is typically handled under controlled conditions due to its hydrazine moiety, which requires careful storage and handling to prevent degradation.
2-hydrazinyl-4,6-dimethyl-1,3-benzothiazole structure
80945-72-8 structure
Product Name:2-hydrazinyl-4,6-dimethyl-1,3-benzothiazole
CAS No:80945-72-8
MF:C9H11N3S
MW:193.268739938736
MDL:MFCD04448811
CID:707930
PubChem ID:2049853
Update Time:2025-06-09

2-hydrazinyl-4,6-dimethyl-1,3-benzothiazole Chemical and Physical Properties

Names and Identifiers

    • Benzothiazole,2-hydrazinyl-4,6-dimethyl-
    • 2(3H)-Benzothiazolone,4,6-dimethyl-,hydrazone(9CI)
    • (4,6-dimethyl-1,3-benzothiazol-2-yl)hydrazine
    • SCHEMBL22074675
    • (4,6-Dimethyl-benzothiazol-2-yl)-hydrazine
    • F1908-0026
    • BB 0246092
    • 2-hydrazinyl-4,6-dimethyl-1,3-benzothiazole
    • Benzothiazole, 2-hydrazinyl-4,6-dimethyl-
    • EN300-214078
    • 80945-72-8
    • AKOS002391402
    • VS-12500
    • BBL034378
    • STL412094
    • MDL: MFCD04448811
    • Inchi: 1S/C9H11N3S/c1-5-3-6(2)8-7(4-5)13-9(11-8)12-10/h3-4H,10H2,1-2H3,(H,11,12)
    • InChI Key: JFQZIXNOBHRGJP-UHFFFAOYSA-N
    • SMILES: S1C(NN)=NC2=C1C=C(C)C=C2C

Computed Properties

  • Exact Mass: 193.06736854g/mol
  • Monoisotopic Mass: 193.06736854g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 13
  • Rotatable Bond Count: 1
  • Complexity: 188
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 2.7
  • Topological Polar Surface Area: 79.2?2

2-hydrazinyl-4,6-dimethyl-1,3-benzothiazole Pricemore >>

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