Thiamine hydrochloride

CAS Registry Number®

67-03-8
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CAS Name

Thiamine hydrochloride

Molecular Formula

C12H17N4OS.ClH.Cl

Cite this Page

Thiamine hydrochloride.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/detail?cas_rn=67-03-8 (retrieved 2021-09-23) (CAS RN: 67-03-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    248 °C (decomp)

Source(s)

  • (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)

Other Names and Identifiers

InChI

InChI=1S/C12H17N4OS.2ClH/c1-8-11(3-4-17)18-7-16(8)6-10-5-14-9(2)15-12(10)13;;/h5,7,17H,3-4,6H2,1-2H3,(H2,13,14,15);2*1H/q+1;;/p-1

InChIKey

InChIKey=DPJRMOMPQZCRJU-UHFFFAOYSA-M

SMILES

C([N+]=1C(C)=C(CCO)SC1)C=2C(N)=NC(C)=NC2.[Cl-].Cl

Canonical SMILES

[Cl-].Cl.OCCC=1SC=[N+](C1C)CC2=CN=C(N=C2N)C

Other Names for this Substance

  • Thiazolium, 3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-, chloride, hydrochloride (1:1:1)
  • Thiamine, monohydrochloride
  • Thiazolium, 3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-, chloride, monohydrochloride
  • 3-(4-Amino-2-methylpyrimidyl-5-methyl)-4-methyl-5,β-hydroxyethylthiazolium chloride hydrochloride
  • Aneurine hydrochloride

Deleted or Replaced CAS Registry Numbers

63-66-1, 70732-86-4, 108631-50-1, 2173536-98-4, 2227489-38-3