Cas no 10023-48-0 (Thiazolium,3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-[2-(phosphonooxy)ethyl]-)

Thiazolium,3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-[2-(phosphonooxy)ethyl]- structure
10023-48-0 structure
Product Name:Thiazolium,3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-[2-(phosphonooxy)ethyl]-
CAS No:10023-48-0
MF:C12H18N4O4PS
MW:345.334481716156
CID:171194
PubChem ID:1131
Update Time:2025-04-19

Thiazolium,3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-[2-(phosphonooxy)ethyl]- Chemical and Physical Properties

Names and Identifiers

    • Thiazolium,3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-[2-(phosphonooxy)ethyl]-
    • 3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-[2-(phosphonooxy)ethyl]thiazolium
    • thiamine monophosphate
    • thiamin phosphate
    • AKOS030242384
    • ThMP
    • Q60998707
    • GTPL4580
    • 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl dihydrogen phosphate
    • HZSAJDVWZRBGIF-UHFFFAOYSA-O
    • thiamin monophosphate
    • bmse000699
    • C12H18N4O4PS
    • Aneurine monophosphate
    • Thiamin dihydrogenphosphate
    • TPS
    • SCHEMBL94444
    • 10023-48-0
    • CHEMBL1236378
    • 3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-5-[2-(phosphonooxy)ethyl]-1,3-thiazol-3-ium
    • CHEBI:9533
    • BDBM92961
    • C01081
    • DTXSID6048389
    • Aneurin-monophosphorsaeureester
    • 3-((4-Amino-2-methylpyrimidin-5-yl)methyl)-4-methyl-5-(2-(phosphonooxy)ethyl)thiazol-3-ium
    • NCGC00164500-01
    • Thiamine phosphate
    • Tiamina monofosfato
    • NS00022956
    • Phosphothiaminum
    • NCGC00164500-02
    • 532-40-1
    • Inchi： 1S/C12H17N4O4PS/c1-8-11(3-4-20-21(17,18)19)22-7-16(8)6-10-5-14-9(2)15-12(10)13/h5,7H,3-4,6H2,1-2H3,(H3-,13,14,15,17,18,19)/p+1
    • InChI Key： HZSAJDVWZRBGIF-UHFFFAOYSA-O
    • SMILES： S1C=[N+](CC2=CN=C(C)N=C2N)C(C)=C1CCOP(=O)(O)O

Computed Properties

  • Exact Mass: 345.078638g/mol
  • Monoisotopic Mass: 345.078638g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 3
  • Hydrogen Bond Acceptor Count: 8
  • Heavy Atom Count: 22
  • Rotatable Bond Count: 6
  • Complexity: 413
  • 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
  • Molecular Weight: 345.34g/mol
  • XLogP3: -0.1
  • Topological Polar Surface Area: 151?2

Experimental Properties

  • PSA: 160.49000
  • LogP: 1.30590

Thiazolium,3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-4-methyl-5-[2-(phosphonooxy)ethyl]- Related Literature

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