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Allithiamine

Allithiamine structure

CAS No:
554-44-9
Formula:
C15H22N4O2S2
Chemical Name:
Allithiamine
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
Categories:
Pharmaceutical Intermediates > Bulk Drug Intermediates

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Description

Allithiamine is an aminopyrimidine.

Allithiamine Basic Attributes

Molecular Weight：

197.34200

Exact Mass：

354.49

UNII：

83SWN21920

Characteristics

PSA：

110.66000

XLogP3：

2.28710

Appearance：

White crystalline powder

Density：

1.276 g/cm3

Melting Point：

32-33 °C (decomp)

Boiling Point：

584.3ºC at 760 mmHg

Flash Point：

307.2ºC

Refractive Index：

1.631

Drug Information

MeSH Entry Terms：

allithiamine

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

Recommended Suppliers of Allithiamine

Guangzhou Yaoguang Technology Co., Ltd. Contact Supplier

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554-44-9

CAS No.: 554-44-9

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