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3-Benzylthiopropionitrile

3-Benzylthiopropionitrile structure

CAS No:
5601-23-0
Formula:
C10H11NS
Chemical Name:
3-Benzylthiopropionitrile
Synonyms:
3-BENZYLTHIOPROPIONITRILE;3-(BENZYLTHIO)PROPIONITRILE;3-(benzylsulfanyl)propanenitrile;Propanenitrile, 3-[(phenylmethyl)thio]-;3-benzylsulfanylpropanenitrile;NSC2234;3-benzylthiopropanitrile;3-(Benzylthio)propanenitrile;3-(Benzylthio)-propionitrile;beta-Benzylmercaptopropionitrile

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3-Benzylthiopropionitrile Basic Attributes

Molecular Weight：

177.265

Exact Mass：

177.06100

NSC Number：

2234

DSSTox ID：

DTXSID60277397

Characteristics

PSA：

49.1

XLogP3：

2.83348

Density：

1.09g/cm3

Boiling Point：

319.9ºC at 760mmHg

Flash Point：

147.3ºC

Refractive Index：

1.565

Computed Properties

Molecular Weight:177.27
XLogP3:2.1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:177.06122053
Monoisotopic Mass:177.06122053
Topological Polar Surface Area:49.1
Heavy Atom Count:12
Complexity:153
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-Benzylthiopropionitrile

Basic Attributes
Characteristics
Computed Properties

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