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2-(1,2-PhenylenediaMino)-5-Methylthiphene-3-carbonitrile

2-(1,2-PhenylenediaMino)-5-Methylthiphene-3-carbonitrile structure

CAS No:
873895-41-1
Formula:
C12H11N3S
Chemical Name:
2-(1,2-PhenylenediaMino)-5-Methylthiphene-3-carbonitrile
Synonyms:
2-(1,2-PhenylenediaMino)-5-Methylthiphene-3-carbonitrile;2-(2-AMinoanilino)-5-Methylthiophene-3-carbonitrile;2-[(2-AMinophenyl)aMino]-5-Methyl-3-thiophenecarbonitrile (Olanzapine IMpurity);Olanzapine Impurity V;3-Thiophenecarbonitrile, 2-[(2-aminophenyl)amino]-5-methyl-;Olanzapine-009;Olanzapine AMino IMpurity;2-((2-aminophenyl)amino)-5-methylthiophene-3-carbonitrile

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2-(1,2-PhenylenediaMino)-5-Methylthiphene-3-carbonitrile Basic Attributes

Molecular Weight：

229.3

Exact Mass：

229.06736854

DSSTox ID：

DTXSID50737278

Characteristics

PSA：

90.08000

XLogP3：

3.90818

Density：

1.29±0.1 g/cm3

Boiling Point：

406.1±45.0 °C(Predicted)

PKA：

4.38±0.10

2-(1,2-PhenylenediaMino)-5-Methylthiphene-3-carbonitrile Use and Manufacturing

An impurity of Olanzapine (O253750).

Computed Properties

Molecular Weight:229.30
XLogP3:3.5
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:229.06736854
Monoisotopic Mass:229.06736854
Topological Polar Surface Area:90.1
Heavy Atom Count:16
Complexity:285
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2-(1,2-PhenylenediaMino)-5-Methylthiphene-3-carbonitrile

Basic Attributes
Characteristics
Use and Manufacturing
Computed Properties

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