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3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-2(3H)-thiazolone

3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-2(3H)-thiazolone structure

CAS No:
490-82-4
Formula:
C12H16N4O2S
Chemical Name:
3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-2(3H)-thiazolone
Synonyms:
2(3H)-Thiazolone,3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-;4-Thiazolin-2-one,3-[(4-amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-;3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-2(3H)-thiazolone;Thiamin thiazolone

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Description

White Solid

3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-2(3H)-thiazolone Basic Attributes

Molecular Weight：

280.34604

Exact Mass：

280.35

EC Number：

207-719-0

UNII：

X88Z903YTF

DSSTox ID：

DTXSID40197660

Characteristics

PSA：

118

XLogP3：

1.06310

Density：

1.378g/cm3

Melting Point：

237 °C

Boiling Point：

507ºC at 760mmHg

Flash Point：

260.4ºC

Refractive Index：

1.662

Vapor Pressure：

4.23E-11mmHg at 25°C

Drug Information

MeSH Entry Terms：

thiamine thiazolone

3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-2(3H)-thiazolone Use and Manufacturing

Thiamine (T344185) impurity.

Computed Properties

Molecular Weight:280.35
XLogP3:0.2
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:4
Exact Mass:280.09939694
Monoisotopic Mass:280.09939694
Topological Polar Surface Area:118
Heavy Atom Count:19
Complexity:388
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-2(3H)-thiazolone

Description
Basic Attributes
Characteristics
Drug Information
Use and Manufacturing
Computed Properties

3-[(4-Amino-2-methyl-5-pyrimidinyl)methyl]-5-(2-hydroxyethyl)-4-methyl-2(3H)-thiazolone

SDS

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