CAS
956-04-7 Purity
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956-04-7 Purity
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Specification
The molecular formula is C4H4N2O2S.
It was created on 2005-03-26.
The IUPAC name is 6-hydroxy-2-sulfanylidene-1H-pyrimidin-4-one.
The InChI is InChI=1S/C4H4N2O2S/c7-2-1-3(8)6-4(9)5-2/h1H,(H3,5,6,7,8,9).
The canonical SMILES is C1=C(NC(=S)NC1=O)O.
The molecular weight is 144.15 g/mol.
The CAS number is 5658-01-5.
It has 3 hydrogen bond donor counts.
The topological polar surface area is 93.4 Ų.
Yes, it is a canonicalized compound.