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4(3H)-Pyrimidinone,2-(methylthio)-6-(2-phenylethyl)-

4(3H)-Pyrimidinone,2-(methylthio)-6-(2-phenylethyl)- structure

CAS No:
857415-55-5
Formula:
C13H14N2OS
Chemical Name:
4(3H)-Pyrimidinone,2-(methylthio)-6-(2-phenylethyl)-
Synonyms:
4(3H)-Pyrimidinone, 2-(methylthio)-6-(2-phenylethyl)-;2-(Methylthio)-6-phenethylpyrimidin-4(3H)-one

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4(3H)-Pyrimidinone,2-(methylthio)-6-(2-phenylethyl)- Basic Attributes

Molecular Weight：

246.33

Exact Mass：

246.08268425

Characteristics

Density：

1.20±0.1 g/cm3

Melting Point：

143 °C(Solv: ethanol (64-17-5))

Boiling Point：

400.9±38.0 °C(Predicted)

PKA：

8.03±0.50

Computed Properties

Molecular Weight:246.33
XLogP3:2.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:4
Exact Mass:246.08268425
Monoisotopic Mass:246.08268425
Topological Polar Surface Area:66.8
Heavy Atom Count:17
Complexity:343
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 4(3H)-Pyrimidinone,2-(methylthio)-6-(2-phenylethyl)-

Basic Attributes
Characteristics
Computed Properties

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