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The molecular formula is C8H8N2S.
The molecular weight is 164.23 g/mol.
The IUPAC name is 6-methyl-2-methylsulfanylpyridine-3-carbonitrile.
The InChI is InChI=1S/C8H8N2S/c1-6-3-4-7(5-9)8(10-6)11-2/h3-4H,1-2H3.
The InChIKey is JNGAXHOXFIPEAA-UHFFFAOYSA-N.
The canonical SMILES is CC1=NC(=C(C=C1)C#N)SC.
The XLogP3-AA value is 1.8.
There are 0 hydrogen bond donor counts.
There are 3 hydrogen bond acceptor counts.
The topological polar surface area is 62.2.
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