3-[(4-AMino-2-Methyl-5-pyriMidinyl)Methyl]-4-Methyl-5-[2-(sulfooxy)ethyl]thiazoliuMInner Salt
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![3-[(4-AMino-2-Methyl-5-pyriMidinyl)Methyl]-4-Methyl-5-[2-(sulfooxy)ethyl]thiazoliuMInner Salt structure](https://file.echemi.com/fileManage/upload/canonicalSmiles/20220812/2e24522f713742c8843219bbeff26410.png "3-[(4-AMino-2-Methyl-5-pyriMidinyl)Methyl]-4-Methyl-5-[2-(sulfooxy)ethyl]thiazoliuMInner Salt")
3-[(4-AMino-2-Methyl-5-pyriMidinyl)Methyl]-4-Methyl-5-[2-(sulfooxy)ethyl]thiazoliuMInner Salt
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CAS No:
2380-61-2
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Formula:
C12H16N4O4S2
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Chemical Name:
3-[(4-AMino-2-Methyl-5-pyriMidinyl)Methyl]-4-Methyl-5-[2-(sulfooxy)ethyl]thiazoliuMInner Salt
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Synonyms:
Thiamine Sulfate;UNII-IL3N23PNS2;IL3N23PNS2;2-[3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl]ethyl sulfate;2-{3-[(4-Amino-2-methylpyrimidin-5-yl)methyl]-4-methyl-1,3-thiazol-3-ium-5-yl}ethyl sulfate;DTXSID40856129;Thiamine hydrochloride impurity A [EP];FT-0675145;J-015219;Thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-4-methyl-5-(2-(sulfooxy)ethyl)-, inner salt
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CAS No:
3-[(4-AMino-2-Methyl-5-pyriMidinyl)Methyl]-4-Methyl-5-[2-(sulfooxy)ethyl]thiazoliuMInner Salt Basic Attributes
344.40984
344.061
IL3N23PNS2
DTXSID40856129
3-[(4-AMino-2-Methyl-5-pyriMidinyl)Methyl]-4-Methyl-5-[2-(sulfooxy)ethyl]thiazoliuMInner Salt Use and Manufacturing
Thiamine (T344185) impurity.
Computed Properties
Molecular Weight:344.4
XLogP3:0.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:8
Rotatable Bond Count:5
Exact Mass:344.06129735
Monoisotopic Mass:344.06129735
Topological Polar Surface Area:159
Heavy Atom Count:22
Complexity:445
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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3-[(4-AMino-2-Methyl-5-pyriMidinyl)Methyl]-4-Methyl-5-[2-(sulfooxy)ethyl]thiazoliuMInner Salt
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