CAS
89938-07-8 Purity
96%
89938-07-8 Purity
96%
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The molecular formula is C8H6N2OS.
The molecular weight is 178.21 g/mol.
The IUPAC name is 4-oxido-1H-quinoxalin-4-ium-2-thione.
The InChIKey is ZMJLPRXBHWNCAQ-UHFFFAOYSA-N.
The Canonical SMILES is C1=CC=C2C(=C1)NC(=S)C=[N+]2[O-].
The XLogP3-AA value is 0.1.
It has 1 hydrogen bond donor count.
It has 2 hydrogen bond acceptor counts.
The exact mass is 178.02008399 g/mol.
Yes, the compound is canonicalized.