Cas no 1379314-27-8 (4-bromo-1,2-benzothiazol-3-amine)

4-bromo-1,2-benzothiazol-3-amine structure
1379314-27-8 structure
Product Name:4-bromo-1,2-benzothiazol-3-amine
CAS No:1379314-27-8
MF:C7H5BrN2S
MW:229.096998929977
CID:2101407
Update Time:2023-11-19

4-bromo-1,2-benzothiazol-3-amine Chemical and Physical Properties

Names and Identifiers

    • 4-bromobenzo[d]isothiazol-3-amine
    • CID 91756862
    • 4-bromo-1,2-benzothiazol-3-amine
    • MDL: MFCD11847111
    • Inchi: 1S/C7H5BrN2S/c8-4-2-1-3-5-6(4)7(9)10-11-5/h1-3H,(H2,9,10)
    • InChI Key: AHHBPEPLXSAAAV-UHFFFAOYSA-N
    • SMILES: BrC1=CC=CC2=C1C(N)=NS2

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 11
  • Rotatable Bond Count: 0
  • Complexity: 155
  • Topological Polar Surface Area: 67.2
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