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3-(Methylthio)-1-phenyl-1H-pyrazole-4-carbothioamide

3-(Methylthio)-1-phenyl-1H-pyrazole-4-carbothioamide structure

CAS No:
175203-73-3
Formula:
C11H11N3S2
Chemical Name:
3-(Methylthio)-1-phenyl-1H-pyrazole-4-carbothioamide
Synonyms:
1H-Pyrazole-4-carbothioamide,3-(methylthio)-1-phenyl-;3-(Methylthio)-1-phenyl-1H-pyrazole-4-carbothioamide

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3-(Methylthio)-1-phenyl-1H-pyrazole-4-carbothioamide Basic Attributes

Molecular Weight：

249.35500

Exact Mass：

249.36

DSSTox ID：

DTXSID20381343

Characteristics

PSA：

101.23000

XLogP3：

2.92870

Density：

1.33g/cm3

Boiling Point：

423.6ºC

Flash Point：

210ºC

Refractive Index：

1.695

Vapor Pressure：

2.2E-07mmHg at 25°C

Computed Properties

Molecular Weight:249.4
XLogP3:2.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:3
Exact Mass:249.03943971
Monoisotopic Mass:249.03943971
Topological Polar Surface Area:101
Heavy Atom Count:16
Complexity:254
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-(Methylthio)-1-phenyl-1H-pyrazole-4-carbothioamide

Basic Attributes
Characteristics
Computed Properties

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