Cas no 63450-94-2 (6-bromo-1,3-benzothiazol-2-amine hydrobromide (1:1))

6-bromo-1,3-benzothiazol-2-amine hydrobromide (1:1) structure
63450-94-2 structure
Product Name:6-bromo-1,3-benzothiazol-2-amine hydrobromide (1:1)
CAS No:63450-94-2
MF:C7H6Br2N2S
MW:310.008938312531
CID:1658919
PubChem ID:113221
Update Time:2025-04-21

6-bromo-1,3-benzothiazol-2-amine hydrobromide (1:1) Chemical and Physical Properties

Names and Identifiers

    • 6-bromo-1,3-benzothiazol-2-amine hydrobromide (1:1)
    • 2-benzothiazolamine, 6-bromo-, hydrobromide (1:1)
    • 2-Benzothiazolamine, 6-bromo-, hydrobromide
    • 6-bromobenzo[d]thiazol-2-amine hydrobromide
    • 6-Bromobenzothiazole-2-amine·hydrobrominate
    • DA-36404
    • 63450-94-2
    • 2-Benzothiazolamine, 6-bromo-, monohydrobromide
    • JBTTWMJFVHXKNR-UHFFFAOYSA-N
    • DTXSID4069844
    • 6-bromo-1,3-benzothiazol-2-amine;hydrobromide
    • Inchi: 1S/C7H5BrN2S.BrH/c8-4-1-2-5-6(3-4)11-7(9)10-5;/h1-3H,(H2,9,10);1H
    • InChI Key: JBTTWMJFVHXKNR-UHFFFAOYSA-N
    • SMILES: BrC1C=CC2=C(C=1)SC(N)=N2.Br

Computed Properties

  • Exact Mass: 307.86188
  • Monoisotopic Mass: 307.862
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 0
  • Complexity: 155
  • Covalently-Bonded Unit Count: 2
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 67.2?2

Experimental Properties

  • Boiling Point: 366.8°C at 760 mmHg
  • Flash Point: 175.7°C
  • PSA: 38.91
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