Basic information
- CAS
7019-71-8- Standard SMILES
Cc1ncc(C[n+]2csc(CCO)c2C)c(N)n1.[Br-]- InChIKey
URCYCZPVXXIFSR-UHFFFAOYSA-M- Molecular formula
- C12H17BrN4OS
- Average molar mass
- 345.26 g/mol
- Monoisotopic mass
- 344.03064
Overview
RN given refers to bromide
Names & identifiers
- Preferred name
- Thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-methyl-, bromide (1:1)
- IUPAC
- 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol bromide
- English name
- thiamine bromide
- Molecular weight
- 0
Names & synonyms
Thiamine bromide7019-71-8JIJ7B8T57FRefChem:932951Thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-methyl-, bromide (1:1)Thiazolium,3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-,bromide (1:1)UNII-JIJ7B8T57FThiaminbromidTHIAMINIUM BROMIDESCHEMBL1704948DTXSID40990431THIAMINE BROMIDE [WHO-DD]
Show more names
[(4-Amino-2-Methyl-5-liridinidyl)- Metyl]-5-(2-hydroxyethyl)-4-methyl thiazoline bromide
Thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-hydroxyethyl)-4-methyl-, bromide2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol;bromideQ272815223-((4-AMINO-2-METHYL-5-PYRIMIDINYL)METHYL)-5-(2-HYDROXYETHYL)-4-METHYLTHIAZOLIUM BROMIDE5-(2-Hydroxyethyl)-3-[(6-imino-2-methyl-1,6-dihydropyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium bromide
Database identifiers
- CAS
7019-71-8- PubChem CID
- 71284
- DTXSID
DTXSID40990431- UNII
- JIJ7B8T57F
Properties
Computed structural properties
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 268
Physicochemical properties
- Melting point
- 161 · 161-162 °C (decomp)(Solv: water (7732-18-5))
- FDA UNII
- 7 B8T57F · JIJ7B8T57F
Chemistry & industry
Suppliers1 total
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Related reactions
0 records
No reaction records under the current filter.
Compound notes
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