Allithiamine
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Allithiamine
structure -
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CAS No:
554-44-9
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Formula:
C15H22N4O2S2
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Chemical Name:
Allithiamine
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Synonyms:
Formamide,N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-[4-hydroxy-1-methyl-2-(2-propen-1-yldithio)-1-buten-1-yl]-;Formamide,N-[2-(allyldithio)-4-hydroxy-1-methyl-1-butenyl]-N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-;Formamide,N-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-N-[4-hydroxy-1-methyl-2-(2-propenyldithio)-1-butenyl]-;N-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-N-[4-hydroxy-1-methyl-2-(2-propen-1-yldithio)-1-buten-1-yl]formamide;Allithiamine;Allithiamin
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CAS No:
Characteristics
110.66000
2.28710
White crystalline powder
1.276 g/cm3
32-33 °C (decomp)
584.3ºC at 760 mmHg
307.2ºC
1.631
Computed Properties
Molecular Weight:354.5
XLogP3:0.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:9
Exact Mass:354.11841830
Monoisotopic Mass:354.11841830
Topological Polar Surface Area:143
Heavy Atom Count:23
Complexity:420
Defined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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