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2-(Methylthio)-5-nitropyrimidine

2-(Methylthio)-5-nitropyrimidine structure

CAS No:
14001-70-8
Formula:
C5H5N3O2S
Chemical Name:
2-(Methylthio)-5-nitropyrimidine
Synonyms:
Pyrimidine,2-(methylthio)-5-nitro-;2-(Methylthio)-5-nitropyrimidine;NSC 87659;2-(Methylsulfanyl)-5-nitropyrimidine;2-Methylsulfanyl-5-nitro-pyrimidine;2-Methylsulfanyl-5-nitropyrimidine

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2-(Methylthio)-5-nitropyrimidine Basic Attributes

Molecular Weight：

171.17700

Exact Mass：

171.18

NSC Number：

87659

DSSTox ID：

DTXSID30293180

HScode：

2933599090

Characteristics

PSA：

96.90000

XLogP3：

1.62990

Density：

1.44g/cm3

Melting Point：

82-83 °C

Boiling Point：

323.8ºC at 760mmHg

Flash Point：

149.6ºC

Refractive Index：

1.61

Vapor Pressure：

0.000485mmHg at 25°C

Computed Properties

Molecular Weight:171.18
XLogP3:0.9
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:1
Exact Mass:171.01024758
Monoisotopic Mass:171.01024758
Topological Polar Surface Area:96.9
Heavy Atom Count:11
Complexity:141
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-(Methylthio)-5-nitropyrimidine

Basic Attributes
Characteristics
Computed Properties

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