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2-[3-[2-(Methylthio)phenyl]-1-oxopropyl]benzonitrile

2-[3-[2-(Methylthio)phenyl]-1-oxopropyl]benzonitrile structure

CAS No:
898754-31-9
Formula:
C17H15NOS
Chemical Name:
2-[3-[2-(Methylthio)phenyl]-1-oxopropyl]benzonitrile
Synonyms:
Benzonitrile,2-[3-[2-(methylthio)phenyl]-1-oxopropyl]-;2-[3-[2-(Methylthio)phenyl]-1-oxopropyl]benzonitrile

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2-[3-[2-(Methylthio)phenyl]-1-oxopropyl]benzonitrile Basic Attributes

Molecular Weight：

281.37

Exact Mass：

281.37

DSSTox ID：

DTXSID90644311

Characteristics

PSA：

66.2

XLogP3：

3.7

Computed Properties

Molecular Weight:281.4
XLogP3:3.7
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:5
Exact Mass:281.08743528
Monoisotopic Mass:281.08743528
Topological Polar Surface Area:66.2
Heavy Atom Count:20
Complexity:372
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-[3-[2-(Methylthio)phenyl]-1-oxopropyl]benzonitrile

Basic Attributes
Characteristics
Computed Properties

2-[3-[2-(Methylthio)phenyl]-1-oxopropyl]benzonitrile

SDS

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