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Weight265.362 g/mol
FormulaC12H17N4OS+
Hydrogen Acceptors5
Hydrogen Donors2
Aromatic Rings2
Rotatable Bonds4

thiamine (59-43-8, 70-16-6)

Thiamin  ·  Aneurin  ·  Vitamin B1

Score: #140 in Biochemistry , #598 in Biology , #636 in Chemistry
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Alternate Names

  • Thiamin
  • Aneurin
  • Vitamin B1
  • Thiamine Mononitrate
  • Vitamin B 1
  • SMILES
    CC1=C(SC=[N+]1CC2=CN=C(N=C2N)C)CCO
  • InChIKey
    JZRWCGZRTZMZEH-UHFFFAOYSA-N

Estimated Properties

Density 1.25 g/cm3 EPA T.E.S.T.
Flash Point 227.52 C EPA T.E.S.T.

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