Cas no 2256740-54-0 (2-bromo-5-(methyl-d3)thiazole)

2-bromo-5-(methyl-d3)thiazole structure
2-bromo-5-(methyl-d3)thiazole structure
Product Name:2-bromo-5-(methyl-d3)thiazole
CAS No:2256740-54-0
MF:C4H4BrNS
MW:181.06874370575
CID:6827362
PubChem ID:172405166
Update Time:2025-03-02

2-bromo-5-(methyl-d3)thiazole Chemical and Physical Properties

Names and Identifiers

    • 2256740-54-0
    • CS-25635
    • 2-bromo-5-(methyl-d3)thiazole
    • Inchi: 1S/C4H4BrNS/c1-3-2-6-4(5)7-3/h2H,1H3/i1D3
    • InChI Key: FJPZHYAYNAUKKA-FIBGUPNXSA-N
    • SMILES: BrC1=NC=C(C([2H])([2H])[2H])S1

Computed Properties

  • Exact Mass: 179.94361Da
  • Monoisotopic Mass: 179.94361Da
  • Isotope Atom Count: 3
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 7
  • Rotatable Bond Count: 0
  • Complexity: 68.7
  • 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: 2.4
  • Topological Polar Surface Area: 41.1?2
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