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8-(Methylthio)octanenitrile

8-(Methylthio)octanenitrile structure

CAS No:
58214-93-0
Formula:
C9H17NS
Chemical Name:
8-(Methylthio)octanenitrile
Synonyms:
Octanenitrile,8-(methylthio)-;8-(Methylthio)octanenitrile;8-Methylthiooctanonitrile

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Description

8-(Methylthio)octanenitrile is a nitrile.

8-(Methylthio)octanenitrile Basic Attributes

Molecular Weight：

171.31 g/mol

Exact Mass：

171.30

DSSTox ID：

DTXSID30206957

Characteristics

PSA：

49.1 Å²

Water Solubility：

112.6 mg/L @ 25 °C (est)

Computed Properties

Molecular Weight:171.31
XLogP3:2.7
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:7
Exact Mass:171.10817072
Monoisotopic Mass:171.10817072
Topological Polar Surface Area:49.1
Heavy Atom Count:11
Complexity:114
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 8-(Methylthio)octanenitrile

Description
Basic Attributes
Characteristics
Computed Properties

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