Cas no 1784018-31-0 (4-bromo-2-methyl-1,3-thiazole-5-carboxylic acid)

4-bromo-2-methyl-1,3-thiazole-5-carboxylic acid structure
1784018-31-0 structure
Product Name:4-bromo-2-methyl-1,3-thiazole-5-carboxylic acid
CAS No:1784018-31-0
MF:C5H4BrNO2S
MW:222.059759140015
CID:5826858
PubChem ID:83822720
Update Time:2024-01-12

4-bromo-2-methyl-1,3-thiazole-5-carboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 4-bromo-2-methyl-1,3-thiazole-5-carboxylic acid
    • 5-Thiazolecarboxylic acid, 4-bromo-2-methyl-
    • 4-Bromo-2-methylthiazole-5-carboxylic acid
    • EN300-7145130
    • 1784018-31-0
    • Inchi: 1S/C5H4BrNO2S/c1-2-7-4(6)3(10-2)5(8)9/h1H3,(H,8,9)
    • InChI Key: HAVZZSAKXFWYIG-UHFFFAOYSA-N
    • SMILES: S1C(C(O)=O)=C(Br)N=C1C

Computed Properties

  • Exact Mass: 220.91461g/mol
  • Monoisotopic Mass: 220.91461g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 155
  • 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: 2.2
  • Topological Polar Surface Area: 78.4?2

Experimental Properties

  • Density: 1.895±0.06 g/cm3(Predicted)
  • Boiling Point: 342.9±27.0 °C(Predicted)
  • pka: 1.57±0.10(Predicted)

4-bromo-2-methyl-1,3-thiazole-5-carboxylic acid Pricemore >>

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