Thiamine hydrochloride
Properties
- Molecular formula
- C12H18Cl2N4OS
- Molar mass
- 337.26 g/mol
- Exact mass
- 336.0578 Da
- Melting point
- 248 °C (decomposes)
- logP
- -2.14Crippen estimate
- Polar surface area
- 76.6 Ų
- H-bond donors / acceptors
- 3 / 4
- Rotatable bonds
- 4
Hazards
Warning
- H319 Causes serious eye irritation33.2% of notifiers
Aggregated from 373 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.
Precautionary statements
P264+P265, P280, P305+P351+P338, P337+P317
Identifiers
CAS number
67-03-8SMILES
Cc1ncc(C[n+]2csc(CCO)c2C)c(=N)[nH]1.Cl.[Cl-]InChIKey
DPJRMOMPQZCRJU-UHFFFAOYSA-MInChI
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-1Weigh it out
Type any one amount. The others follow from the molar mass.
Names and synonyms
50 names · show all
- 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
- Apate drops
- Beatine
- Bedome
- Begiolan
- Benerva
- Bequin
- Berin
- Betabion
- Betalin S
- Betaxin
- Bethiazine
- Beuion
- Bevitine
- Bewon
- Biuno
- Bivatin
- Bivita
- Clotiamina
- Eskapen
- Eskaphen
- Lixa-beta
- Metabolin
- Slowten
- THD
- Thiadoxine
- Thiaminal
- Thiamine chloride hydrochloride
- Thiamine dichloride
- Thiamin hydrochloride
- Thiaminium chloride
- Thiaminium chloride hydrochloride
- Thiamol
- Thiavit
- Tiamidon
- Tiaminal
- Trophite
- Vetalin S
- Vinothiam
- Vitamin B1 hydrochloride
- Vitaneuron
- Thiamine chloride
- Thiamin chloride
- Thiamin dichloride
- Biamine
- 3-[(4-Amino-2-methylpyrimidin-5-yl)methyl]-5-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium hydrochloride chloride
Work with Thiamine hydrochloride
Stereoisomers, salts and isotopologues
The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.
Similar compounds
Thiamine pyrophosphate154-87-059 % similar
3-Benzyl-5-(2-hydroxyethyl)-4-methylthiazolium chloride4568-71-249 % similar
Toxopyrimidine73-67-644 % similar
Amprolium hydrochloride137-88-241 % similar
3-Ethyl-5-(2-hydroxyethyl)-4-methylthiazolium bromide54016-70-541 % similar
4-Amino-2-methyl-5-pyrimidinemethanamine95-02-339 % similar
Amprolium121-25-537 % similar
Thiamine disulfide67-16-336 % similar
Tanimoto similarity of circular fingerprints over the whole catalogue.