Cas no 26488-55-1 (2-Benzothiazolamine, 6-chloro-4-nitro-)

2-Benzothiazolamine, 6-chloro-4-nitro- structure
26488-55-1 structure
Product Name:2-Benzothiazolamine, 6-chloro-4-nitro-
CAS No:26488-55-1
MF:C7H4ClN3O2S
MW:229.643558502197
CID:237786
PubChem ID:4267524
Update Time:2025-04-19

2-Benzothiazolamine, 6-chloro-4-nitro- Chemical and Physical Properties

Names and Identifiers

    • 2-Benzothiazolamine, 6-chloro-4-nitro-
    • 6-chloro-4-nitro-1,3-benzothiazol-2-amine
    • 26488-55-1
    • SCHEMBL10966407
    • DTXSID30401400
    • Inchi: 1S/C7H4ClN3O2S/c8-3-1-4(11(12)13)6-5(2-3)14-7(9)10-6/h1-2H,(H2,9,10)
    • InChI Key: ZEKNJAQJEFFEHM-UHFFFAOYSA-N
    • SMILES: ClC1C=C(C2=C(C=1)SC(N)=N2)[N+](=O)[O-]

Computed Properties

  • Exact Mass: 228.9712752g/mol
  • Monoisotopic Mass: 228.9712752g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 14
  • Rotatable Bond Count: 0
  • Complexity: 250
  • 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: 2.5
  • Topological Polar Surface Area: 113?2
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