CAS
915945-39-0 Purity
96%
915945-39-0 Purity
96%
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The molecular formula is C3H4N2O2S.
The molecular weight is 132.14 g/mol.
The IUPAC name is 5-sulfanylimidazolidine-2,4-dione.
The InChI is InChI=1S/C3H4N2O2S/c6-1-2(8)5-3(7)4-1/h2,8H,(H2,4,5,6,7).
The InChIKey is QUTMDJBHOCRZIW-UHFFFAOYSA-N.
The Canonical SMILES is C1(C(=O)NC(=O)N1)S.
The XLogP3-AA value is -0.6.
There are 3 hydrogen bond donor counts.
The topological polar surface area is 59.2 Å2.
Yes, the compound is canonicalized.