CAS Registry Number®
59-43-8
CAS Name
Vitamin B1
Molecular Formula
C12H17N4OS.Cl
Compound Properties
-
Melting Point (1)
248 °C (decomp)
-
Density (2)
1.43 g/cm3
Source(s)
- (1) PhysProp data were obtained from Syracuse Research Corporation of Syracuse, New York (US)
- (2) Bernal, J. D.; Nature (London, United Kingdom), (1933), 131, 911-12, CAplus
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
- Aneurine
- Apatate Drape
- Beivon
- Bethiamin
- Oryzanin
- Vitamin B1
- Thiamine monochloride
- Thiamin
- Vitaneurin
- Thiacoat
- 3-[(4-Amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium chloride
- 3-((4-Amino-2-methylpyrimidin-5-yl)methyl)-5-(2-hydroxyethyl)-4-methylthiazol-3-ium chloride
Deleted or Replaced CAS Registry Numbers
100660-17-1, 115461-66-0, 55463-15-5, 57777-32-9
