beclotiamine
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beclotiamine
structure -
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CAS No:
20166-17-0
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Formula:
C12H16ClN4S+
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Chemical Name:
beclotiamine
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Synonyms:
3-[(4-amino-2-methylpyrimidin-5-yl)methyl]-5-(2-chloroethyl)-4-methyl-1,3-thiazol-3-ium;UNII-4W25FR6CGB;4W25FR6CGB;ZINC994;CHEMBL2110639;CTK4E3452;3-(4-Amino-2-methyl-5-pyrimidinylmethyl)-5-(2-chloroethyl)-4-methylthiazoliumhydroxide;3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-chloroethyl)-4-methylthiazol-3-ium;Thiazolium, 3-((4-amino-2-methyl-5-pyrimidinyl)methyl)-5-(2-chloroethyl)-4-methyl-
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CAS No:
Computed Properties
Molecular Weight:283.80
XLogP3:2.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:4
Exact Mass:283.0784204
Monoisotopic Mass:283.0784204
Topological Polar Surface Area:83.9
Heavy Atom Count:18
Formal Charge:1
Complexity:269
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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