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3-METHYLTHIO-1,4,5-TRIPHENYL-1H-PYRAZOLE

3-METHYLTHIO-1,4,5-TRIPHENYL-1H-PYRAZOLE structure

CAS No:
871110-16-6
Formula:
C22H18N2S
Chemical Name:
3-METHYLTHIO-1,4,5-TRIPHENYL-1H-PYRAZOLE
Synonyms:
3-METHYLTHIO-1,4,5-TRIPHENYL-1H-PYRAZOLE;1H-Pyrazole, 3-(methylthio)-1,4,5-triphenyl-

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3-METHYLTHIO-1,4,5-TRIPHENYL-1H-PYRAZOLE Basic Attributes

Molecular Weight：

342.46

Exact Mass：

342.11906976

DSSTox ID：

DTXSID10468475

Characteristics

PSA：

43.12000

XLogP3：

5.92820

Density：

1.13±0.1 g/cm3

Melting Point：

204-205 °C

Boiling Point：

487.9±45.0 °C(Predicted)

Flash Point：

248.877ºC

Refractive Index：

1.637

PKA：

-0.74±0.10

Computed Properties

Molecular Weight:342.5
XLogP3:6
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:342.11906976
Monoisotopic Mass:342.11906976
Topological Polar Surface Area:43.1
Heavy Atom Count:25
Complexity:397
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-METHYLTHIO-1,4,5-TRIPHENYL-1H-PYRAZOLE

Basic Attributes
Characteristics
Computed Properties

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