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3-(Ethylthio)propanenitrile

3-(Ethylthio)propanenitrile structure

CAS No:
3088-46-8
Formula:
C5H9NS
Chemical Name:
3-(Ethylthio)propanenitrile
Synonyms:
Propanenitrile,3-(ethylthio)-;Propionitrile,3-(ethylthio)-;3-(Ethylthio)propanenitrile;2-Cyanoethyl ethyl sulfide;3-(Ethylthio)propionitrile;NSC 9907;3-Ethylsulfanyl-propionitrile

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3-(Ethylthio)propanenitrile Basic Attributes

Molecular Weight：

115.20 g/mol

Exact Mass：

115.20

NSC Number：

9907

DSSTox ID：

DTXSID90278751

Characteristics

PSA：

49.1 Å²

Density：

0.996 g/cm³ @ Temp: 20 °C

Melting Point：

47.0-47.5 °C @ Solvent: Methanol

Boiling Point：

88-93 °C @ Press: 4 Torr

Computed Properties

Molecular Weight:115.20
XLogP3:0.9
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:115.04557046
Monoisotopic Mass:115.04557046
Topological Polar Surface Area:49.1
Heavy Atom Count:7
Complexity:71.4
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-(Ethylthio)propanenitrile

Basic Attributes
Characteristics
Computed Properties

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