CAS
95240-78-1 Purity
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95240-78-1 Purity
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The molecular formula is C8H6ClNS.
The molecular weight is 183.66 g/mol.
The IUPAC name is 2-chloro-4-methylthieno[3,4-b]pyridine.
The InChI is InChI=1S/C8H6ClNS/c1-5-2-8(9)10-7-4-11-3-6(5)7/h2-4H,1H3.
The InChIKey is KNYRJDJCSDZOBL-UHFFFAOYSA-N.
The canonical SMILES is CC1=CC(=NC2=CSC=C12)Cl.
The XLogP3-AA value is 3.2.
There are 0 hydrogen bond donor counts.
There are 2 hydrogen bond acceptor counts.
The topological polar surface area is 41.1 ?2.