CAS
942222-78-8 Purity
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942222-78-8 Purity
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Specification
The molecular formula is C8H5NOS.
The molecular weight is 163.20 g/mol.
The IUPAC name is thieno[3,2-c]pyridine-2-carbaldehyde.
The InChI key is WLWWQVDSQWYRIV-UHFFFAOYSA-N.
The canonical SMILES is C1=CN=CC2=C1SC(=C2)C=O.
The CAS number is 94226-19-4.
The XLogP3-AA value is 1.7.
It has 3 hydrogen bond acceptor count.
The topological polar surface area is 58.2 angstroms squared.
Yes, it is a canonicalized compound.