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3-methylsulfanyl-1-phenylpyrazole-4-carbonitrile

3-methylsulfanyl-1-phenylpyrazole-4-carbonitrile structure

CAS No:
175203-46-0
Formula:
C11H9N3S
Chemical Name:
3-methylsulfanyl-1-phenylpyrazole-4-carbonitrile
Synonyms:
3-(methylthio)-1-phenyl-1H-pyrazole-4-carbonitrile; HMS555H05;

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3-methylsulfanyl-1-phenylpyrazole-4-carbonitrile Basic Attributes

Molecular Weight：

215.27400

Exact Mass：

215.05171847

DSSTox ID：

DTXSID40381300

HScode：

2933199090

Characteristics

PSA：

66.91000

XLogP3：

2.46588

Density：

1.2g/cm3

Melting Point：

106ºC

Boiling Point：

385.9ºC

Flash Point：

187.2ºC

Refractive Index：

1.644

Vapor Pressure：

3.67E-06mmHg at 25°C

Computed Properties

Molecular Weight:215.28
XLogP3:2.5
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:215.05171847
Monoisotopic Mass:215.05171847
Topological Polar Surface Area:66.9
Heavy Atom Count:15
Complexity:254
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-methylsulfanyl-1-phenylpyrazole-4-carbonitrile

Basic Attributes
Characteristics
Computed Properties

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