96944 Purity
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Specification
The molecular formula is C14H11NS.
The molecular weight is 225.31 g/mol.
It was first created on March 30, 2010.
The IUPAC name is 4-methyl-3-thia-5-azatetracyclo[6.6.1.0 2,6 .0 11,15 ]pentadeca-1(14),2(6),4,7,11(15),12-hexaene.
The InChI is InChI=1S/C14H11NS/c1-8-15-12-7-10-6-5-9-3-2-4-11(13(9)10)14(12)16-8/h2-4,7H,5-6H2,1H3.
The Canonical SMILES is CC1=NC2=C(S1)C3=CC=CC4=C3C(=C2)CC4.
There are 2 hydrogen bond acceptor counts.
The exact mass is 225.06122053 g/mol.
Yes, it is considered canonicalized.
There is 1 covalently-bonded unit count.
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