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2-(METHYLTHIO)BENZONITRILE

2-(METHYLTHIO)BENZONITRILE structure

CAS No:
6609-54-7
Formula:
C8H7NS
Chemical Name:
2-(METHYLTHIO)BENZONITRILE
Synonyms:
2-Cyanothioanisole;o-(Methylthio)benzonitrile;2-(METHYLTHIO)BENZONITRILE;Benzonitrile, 2-(Methylthio)-;2-(Methylmercapto)benzonitrile;2-(METHYLTHIO)BENZONITRILE / 2-CYANOTHIOANISOLE;2-Cyanothioanisole~2-(Methylmercapto)benzonitrile

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2-(METHYLTHIO)BENZONITRILE Basic Attributes

Molecular Weight：

149.211

Exact Mass：

149.03000

DSSTox ID：

DTXSID50216290

HScode：

2930909090

Characteristics

PSA：

49.1

XLogP3：

2.28018

Density：

1.14g/cm3

Melting Point：

37-39°C

Boiling Point：

116-117°C 5mm

Flash Point：

116-117°C/5mm

Refractive Index：

1.589

Water Solubility：

Insoluble in water.

Safety Information

Packing level：

III

Hazard category：

6.1

Transport codes：

3439

hazard class code：

R20/21/22

safety instructions：

S36/37

Marks：

Computed Properties

Molecular Weight:149.21
XLogP3:2.2
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:149.02992040
Monoisotopic Mass:149.02992040
Topological Polar Surface Area:49.1
Heavy Atom Count:10
Complexity:147
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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2-cyanophenyl methyl sulphide

CAS No.: 6609-54-7

Content: 99.00%

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Guide of 2-(METHYLTHIO)BENZONITRILE

Basic Attributes
Characteristics
Safety Information
Computed Properties
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2-(METHYLTHIO)BENZONITRILE

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