Cas no 858486-46-1 (2-amino-5-bromo-1,3-thiazole-4-carboxylic acid)

2-Amino-5-bromo-1,3-thiazole-4-carboxylic acid is a heterocyclic compound featuring a thiazole core functionalized with an amino group, a bromine substituent, and a carboxylic acid moiety. This structure imparts versatility in organic synthesis, particularly as a building block for pharmaceuticals and agrochemicals. The bromine atom enhances reactivity for further functionalization via cross-coupling reactions, while the carboxylic acid group allows for derivatization or salt formation. Its well-defined molecular framework makes it valuable in medicinal chemistry for designing bioactive molecules. The compound is typically characterized by high purity and stability, ensuring reliable performance in research and industrial applications. Its synthesis and handling require standard laboratory precautions due to its reactive functional groups.
2-amino-5-bromo-1,3-thiazole-4-carboxylic acid structure
858486-46-1 structure
Product Name:2-amino-5-bromo-1,3-thiazole-4-carboxylic acid
CAS No:858486-46-1
MF:C4H3BrN2O2S
MW:223.047818422318
MDL:MFCD08275696
CID:717931
PubChem ID:45036913
Update Time:2025-06-07

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

Names and Identifiers

    • 4-Thiazolecarboxylicacid, 2-amino-5-bromo-
    • 2-amino-5-bromo-1,3-thiazole-4-carboxylic acid
    • 2-AMINO-5-BROMOTHIAZOLE-4-CARBOXYLIC ACID
    • 4-Thiazolecarboxylicacid,2-amino-5-bromo
    • I09-2023
    • QC-6432
    • AKOS015898849
    • CS-0372660
    • 2-AMINO-5-BROMOTHIAZOLE-4-CARBOXYLICACID
    • DTXSID80661739
    • 858486-46-1
    • FT-0696097
    • D86795
    • Benzenesulfonic acid,2,5-dichloro-4-(5-hydroxy-3-methyl-1H-pyrazol-1-yl)-
    • SCHEMBL2873247
    • EN300-111163
    • DB-001931
    • 2-Amino-5-bromo-thiaZole-4-carboxylic acid
    • MFCD08275696
    • MDL: MFCD08275696
    • Inchi: 1S/C4H3BrN2O2S/c5-2-1(3(8)9)7-4(6)10-2/h(H2,6,7)(H,8,9)
    • InChI Key: AWRZYJLDPIIEQT-UHFFFAOYSA-N
    • SMILES: BrC1=C(C(=O)O)N=C(N)S1

Computed Properties

  • Exact Mass: 221.91000
  • Monoisotopic Mass: 221.90986g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 1
  • Complexity: 156
  • 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: 1.5
  • Topological Polar Surface Area: 104?2

Experimental Properties

  • PSA: 104.45000
  • LogP: 1.76720

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

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