2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl benzoate;chloride
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![2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl benzoate;chloride structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/035ba7068fed468cb2e812de1d82822b.png "2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl benzoate;chloride")
2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl benzoate;chloride
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CAS No:
1948-58-9
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Formula:
C19H21ClN4O2S
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Chemical Name:
2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl benzoate;chloride
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Synonyms:
O-benzoylthiamine;O-benzoylthiamine phosphate (1:1);1948-58-9;SCHEMBL3684756;DTXSID90941236;Thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-(benzoyloxy)ethyl)-4-methyl-, chloride;5-[2-(Benzoyloxy)ethyl]-3-[(6-imino-2-methyl-1,6-dihydropyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium chloride
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CAS No:
2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl benzoate;chloride Basic Attributes
404.9 g/mol
404.1073748 g/mol
Computed Properties
Molecular Weight:404.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:404.1073748
Monoisotopic Mass:404.1073748
Topological Polar Surface Area:110
Heavy Atom Count:27
Complexity:461
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes
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