Vitamin B1
Properties
- Molecular formula
- C12H17ClN4OS
- Molar mass
- 300.80 g/mol
- Exact mass
- 300.0812 Da
- Density
- 1.43 g/mL
- Melting point
- 248 °C (decomposes)
- logP
- -2.56Crippen estimate
- Polar surface area
- 76.6 Ų
- H-bond donors / acceptors
- 3 / 4
- Rotatable bonds
- 4
Identifiers
CAS number
59-43-8SMILES
Cc1ncc(C[n+]2csc(CCO)c2C)c(=N)[nH]1.[Cl-]InChIKey
MYVIATVLJGTBFV-UHFFFAOYSA-MInChI
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-1Weigh it out
Type any one amount. The others follow from the molar mass and density.
Names and synonyms
16 names · show all
- 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
- 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
Work with Vitamin B1
Similar compounds
3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methylthiazolium70-16-694 % similar
Thiamine pyrophosphate154-87-055 % similar
3-Benzyl-5-(2-hydroxyethyl)-4-methylthiazolium chloride4568-71-252 % similar
Toxopyrimidine73-67-646 % similar
3-Ethyl-5-(2-hydroxyethyl)-4-methylthiazolium bromide54016-70-543 % similar
4-Amino-2-methyl-5-pyrimidinemethanamine95-02-341 % similar
Amprolium121-25-538 % similar
Thiamine disulfide67-16-338 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds