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1,4-Dihydro-6-(methylthio)-4-oxo-2-phenyl-5-pyrimidinecarbonitrile

1,4-Dihydro-6-(methylthio)-4-oxo-2-phenyl-5-pyrimidinecarbonitrile structure

CAS No:
15908-64-2
Formula:
C12H9N3OS
Chemical Name:
1,4-Dihydro-6-(methylthio)-4-oxo-2-phenyl-5-pyrimidinecarbonitrile
Synonyms:
5-Pyrimidinecarbonitrile,1,4-dihydro-6-(methylthio)-4-oxo-2-phenyl-;5-Pyrimidinecarbonitrile,4-hydroxy-6-(methylthio)-2-phenyl-;1,4-Dihydro-6-(methylthio)-4-oxo-2-phenyl-5-pyrimidinecarbonitrile;4-Methylsulfanyl-6-oxo-2-phenyl-1H-pyrimidine-5-carbonitrile

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1,4-Dihydro-6-(methylthio)-4-oxo-2-phenyl-5-pyrimidinecarbonitrile Basic Attributes

Molecular Weight：

243.28400

Exact Mass：

243.28

DSSTox ID：

DTXSID90352383

HScode：

2933599090

Characteristics

PSA：

94.84000

XLogP3：

2.03048

Density：

1.3g/cm3

Melting Point：

341 °C @ Solvent: Acetic acid

Refractive Index：

1.667

Computed Properties

Molecular Weight:243.29
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:243.04663309
Monoisotopic Mass:243.04663309
Topological Polar Surface Area:90.6
Heavy Atom Count:17
Complexity:438
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 1,4-Dihydro-6-(methylthio)-4-oxo-2-phenyl-5-pyrimidinecarbonitrile

Basic Attributes
Characteristics
Computed Properties

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