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α-(Phenylmethylene)-2-thiopheneacetonitrile

α-(Phenylmethylene)-2-thiopheneacetonitrile structure

CAS No:
37033-97-9
Formula:
C13H9NS
Chemical Name:
α-(Phenylmethylene)-2-thiopheneacetonitrile
Synonyms:
2-Thiopheneacetonitrile,α-(phenylmethylene)-;α-(Phenylmethylene)-2-thiopheneacetonitrile;3-Phenyl-2-(thiophen-2-yl)prop-2-enenitrile

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α-(Phenylmethylene)-2-thiopheneacetonitrile Basic Attributes

Molecular Weight：

211.28200

Exact Mass：

211.28

DSSTox ID：

DTXSID30399535

Characteristics

PSA：

52.03000

XLogP3：

3.81228

Density：

1.204g/cm3

Melting Point：

75 °C

Boiling Point：

341.4ºC

Flash Point：

160.2ºC

Refractive Index：

1.666

Computed Properties

Molecular Weight:211.28
XLogP3:3.4
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:211.04557046
Monoisotopic Mass:211.04557046
Topological Polar Surface Area:52
Heavy Atom Count:15
Complexity:280
Undefined Bond Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of α-(Phenylmethylene)-2-thiopheneacetonitrile

Basic Attributes
Characteristics
Computed Properties

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