Vitamin B1

CAS Registry Number®

59-43-8
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CAS Name

Vitamin B1

Molecular Formula

C12H17N4OS.Cl

Cite this Page

Vitamin B1.   CAS Common Chemistry.   CAS, a division of the American Chemical Society, n.d.   http://commonchemistry.cas.org/ChemicalDetail.aspx?ref=59-43-8 (retrieved 2021-10-22) (CAS RN: 59-43-8).  Licensed under the Attribution-Noncommercial 4.0 International License (CC BY-NC 4.0).

Compound Properties

  • Melting Point (1)

    248 °C (decomp)
  • Density (2)

    1.43 g/cm3

Source(s)

Other Names and Identifiers

InChI

InChI=1S/C12H17N4OS.ClH/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);1H/q+1;/p-1

InChIKey

InChIKey=MYVIATVLJGTBFV-UHFFFAOYSA-M

SMILES

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

Canonical SMILES

[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 (1:1)
  • Thiamine
  • Thiazolium, 3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-, chloride
  • 3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methylthiazolium chloride (1:1)
  • 3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methylthiazolium chloride

Deleted or Replaced CAS Registry Numbers

100660-17-1, 115461-66-0, 55463-15-5, 57777-32-9