Basic information
- CAS
51230-37-6- Standard SMILES
Cc1ncc(C[n+]2c(CCO)sc(CCO)c2C)c(N)n1.[Cl-]- InChIKey
BECBAQIAXDDXIE-UHFFFAOYSA-M- Molecular formula
- C14H21ClN4O2S
- Average molar mass
- 344.9 g/mol
- Monoisotopic mass
- 344.1073748
Names & identifiers
- Preferred name
- Hydroxyethylthiamine
- IUPAC
- 2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-2-(2-hydroxyethyl)-4-methyl-1,3-thiazol-3-ium-5-yl]ethanol chloride
- English name
- hydroxyethylthiamine
- Molecular formula
- C14H21N4O2S.Cl
- Molecular weight
- 344.86
Names & synonyms
Hydroxyethylthiamine51230-37-63-((4-Amino-2-methyl-5-pyrimidinyl)methyl)-2,5-bis(2-hydroxyethyl)-4-methylthiazolium chlorideRefChem:147182SCHEMBL14637039DTXSID609655002,5-Bis(2-hydroxyethyl)-3-[(6-imino-2-methyl-1,6-dihydropyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium chloride
Database identifiers
- CAS
51230-37-6- PubChem CID
- 189130
- DTXSID
DTXSID60965500
Properties
Computed structural properties
- Topological polar surface area
- 124 Ų
- Hydrogen bond donors
- 3
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 323
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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