CAS
912771-35-8 Purity
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912771-35-8 Purity
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Specification
The molecular formula is C8H6N2OS.
It was created on October 2, 2007.
The IUPAC Name is 5-thiophen-2-yl-1H-pyrazin-2-one.
The InChI is InChI=1S/C8H6N2OS/c11-8-5-9-6(4-10-8)7-2-1-3-12-7/h1-5H,(H,10,11).
The InChIKey is RHKPBJGCOVUIIV-UHFFFAOYSA-N.
The Canonical SMILES is C1=CSC(=C1)C2=CNC(=O)C=N2.
The molecular weight is 178.21 g/mol.
The compound has 1 hydrogen bond donor count.
The topological polar surface area is 69.7 Ų.
Yes, the compound is canonicalized.