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3-propan-2-ylsulfanylpropanenitrile

3-propan-2-ylsulfanylpropanenitrile structure

CAS No:
53584-04-6
Formula:
C6H11NS
Chemical Name:
3-propan-2-ylsulfanylpropanenitrile
Synonyms:
3-(isopropylthio)propanenitrile; 3-(propan-2-ylsulfanyl)propanenitrile; 3-(2-propylmercapto)propionitrile; 3-(ISOPROPYLTHIO)PROPIONITRILE; 3-Isopropylmercapto-propionitril; 3-isopropylsulfanyl-propionitrile;Expand

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3-propan-2-ylsulfanylpropanenitrile Basic Attributes

Molecular Weight：

129.22300

Exact Mass：

129.06122053 g/mol

NSC Number：

2237

DSSTox ID：

DTXSID30277400

Characteristics

PSA：

49.09000

XLogP3：

2.04168

Density：

0.955g/cm3

Boiling Point：

224.4ºC

Flash Point：

89.5ºC

Refractive Index：

1.469

Computed Properties

Molecular Weight:129.23
XLogP3:1.4
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:129.06122053
Monoisotopic Mass:129.06122053
Topological Polar Surface Area:49.1
Heavy Atom Count:8
Complexity:89.9
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-propan-2-ylsulfanylpropanenitrile

Basic Attributes
Characteristics
Computed Properties

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