Cas no 6309-04-2 (Ethyl Thiamine Bromide Hydrobromide)

Ethyl Thiamine Bromide Hydrobromide structure
6309-04-2 structure
Product Name:Ethyl Thiamine Bromide Hydrobromide
CAS No:6309-04-2
MF:C13H20Br2N4OS
MW:440.197099685669
CID:1647056
PubChem ID:24185679
Update Time:2025-04-21

Ethyl Thiamine Bromide Hydrobromide Chemical and Physical Properties

Names and Identifiers

    • 3-[(4-amino-2-ethylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium
    • 2-[3-[(4-amino-2-ethylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;bromide;hydrobromide
    • NSC41798
    • 3-((4-Amino-2-ethylpyrimidin-5-yl)methyl)-5-(2-hydroxyethyl)-4-methylthiazol-3-ium bromide hydrobromide
    • 3-[(4-Amino-2-ethylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium bromide--hydrogen bromide (1/1/1)
    • NSC-41798
    • 3-((4-amino-2-ethylpyrimidin-5-yl)methyl)-5-(2-hydroxyethyl)-4-methylthiazol-3-ium? (Vitamin Impurity
    • 6309-04-2
    • Ethyl thiamine bromide hydrobromide
    • CS-0166206
    • DTXSID20637130
    • Ethyl Thiamine Bromide Hydrobromide
    • Inchi: 1S/C13H19N4OS.2BrH/c1-3-12-15-6-10(13(14)16-12)7-17-8-19-11(4-5-18)9(17)2;;/h6,8,18H,3-5,7H2,1-2H3,(H2,14,15,16);2*1H/q+1;;/p-1
    • InChI Key: AAUOCCXBCNFAEA-UHFFFAOYSA-M
    • SMILES: Br.[Br-].S1C=[N+](CC2=CN=C(CC)N=C2N)C(C)=C1CCO

Computed Properties

  • Exact Mass: 279.12817
  • Monoisotopic Mass: 437.972457
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 3
  • Heavy Atom Count: 21
  • Rotatable Bond Count: 5
  • Complexity: 281
  • Covalently-Bonded Unit Count: 3
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • Topological Polar Surface Area: 104

Experimental Properties

  • PSA: 75.91
  • LogP: -0.59500

Ethyl Thiamine Bromide Hydrobromide Pricemore >>

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