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3-Methyl-1-benzothiophene-2-carbonitrile

3-Methyl-1-benzothiophene-2-carbonitrile structure

CAS No:
3216-49-7
Formula:
C10H7NS
Chemical Name:
3-Methyl-1-benzothiophene-2-carbonitrile
Synonyms:
3-methylbenzo[b]thiophene-2-carbonitrile;3-methyl-1-benzothiophene-2-carbonitrile;NSC108923;LORACARBEF(200MG);CTK4G8324;DTXSID30296353;HMS1666O21;ZINC172483;ANW-61472;CCG-53349

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3-Methyl-1-benzothiophene-2-carbonitrile Basic Attributes

Molecular Weight：

173.233

Exact Mass：

173.03000

NSC Number：

108923

DSSTox ID：

DTXSID30296353

Characteristics

PSA：

XLogP3：

3.08138

Density：

1.23g/cm3

Boiling Point：

328.5ºC at 760mmHg

Flash Point：

152.5ºC

Refractive Index：

1.656

Computed Properties

Molecular Weight:173.24
XLogP3:3.4
Hydrogen Bond Acceptor Count:2
Exact Mass:173.02992040
Monoisotopic Mass:173.02992040
Topological Polar Surface Area:52
Heavy Atom Count:12
Complexity:217
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 3-Methyl-1-benzothiophene-2-carbonitrile

Basic Attributes
Characteristics
Computed Properties

3-Methyl-1-benzothiophene-2-carbonitrile

SDS

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