Cas no 7770-93-6 (Thiazolium, 3-[(4-amino-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-, chloride)

Thiazolium, 3-[(4-amino-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-, chloride structure
7770-93-6 structure
Product Name:Thiazolium, 3-[(4-amino-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-, chloride
CAS No:7770-93-6
MF:C11H15ClN4OS
MW:286.780999422073
CID:1003130
PubChem ID:71751247
Update Time:2025-04-20

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

Names and Identifiers

    • Thiazolium, 3-[(4-amino-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-, chloride
    • 2′-Nor Thiamine
    • 2?-Nor Thiamine
    • 2-[3-[(4-aminopyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol,chloride
    • 2'-Nor ThiaMine
    • 2'-Demethylthiamine
    • 2'-METHYLBIPHENYL-4-CARBALDEHYDE
    • 7770-93-6
    • DTXSID20858227
    • 3-[(4-Aminopyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium chloride
    • CS-0166203
    • FT-0673144
    • 3-((4-aminopyrimidin-5-yl)methyl)-5-(2-hydroxyethyl)-4-methylthiazol-3-ium chloride? (Vitamin Impurity
    • 3-((4-Aminopyrimidin-5-yl)methyl)-5-(2-hydroxyethyl)-4-methylthiazol-3-ium chloride
    • 2-[3-[(4-aminopyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;chloride
    • Inchi： 1S/C11H15N4OS.ClH/c1-8-10(2-3-16)17-7-15(8)5-9-4-13-6-14-11(9)12;/h4,6-7,16H,2-3,5H2,1H3,(H2,12,13,14);1H/q+1;/p-1
    • InChI Key： YSZJAYGOPKFTGQ-UHFFFAOYSA-M
    • SMILES： [Cl-].S1C=[N+](CC2=CN=CN=C2N)C(C)=C1CCO

Computed Properties

  • Exact Mass: 286.06600
  • Monoisotopic Mass: 286.0655100g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 4
  • Complexity: 244
  • Covalently-Bonded Unit Count: 2
  • 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?2

Experimental Properties

  • PSA: 104.88000
  • LogP: -2.76660

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

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