Cas no 7771-57-5 (2-Northiamin)

2-Northiamin structure
2-Northiamin structure
Product Name:2-Northiamin
CAS No:7771-57-5
MF:C11H15N4OS
MW:251.3280
CID:5047613
PubChem ID:71751248
Update Time:2024-03-03

2-Northiamin Chemical and Physical Properties

Names and Identifiers

    • K78Y4WB9BS
    • Desmethylthiamine
    • 2-Northiamin
    • Thiamine nitrate impurity B [EP]
    • Thiamine hydrochloride impurity B [EP]
    • 3-((4-Amino-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-methylthiazolium
    • 3-((4-Aminopyrimidin-5-yl)methyl)-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium
    • Thiazolium, 3-((4-amino-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-methyl-
    • Unii-K78Y4WB9BS
    • Inchi: 1S/C11H15N4OS/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)/q+1
    • InChI Key: PWMQZXCKDPDSPD-UHFFFAOYSA-N
    • SMILES: S1C([H])=[N+](C([H])([H])C2=C([H])N=C([H])N=C2N([H])[H])C(C([H])([H])[H])=C1C([H])([H])C([H])([H])O[H]

Computed Properties

  • Exact Mass: 251.09665729g/mol
  • Monoisotopic Mass: 251.09665729g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 2
  • Hydrogen Bond Acceptor Count: 5
  • Heavy Atom Count: 17
  • Rotatable Bond Count: 4
  • Complexity: 244
  • 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: 0.6
  • Topological Polar Surface Area: 104

2-Northiamin Pricemore >>

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