Molecule ID: 2723628

IUPAC Name: 2-sulfanylidene-1,3-diazinane-4,6-dione

Description: The molecule is a barbiturate, the structure of which is that of barbituric acid in which the oxygen at C-2 is replaced by sulfur. It has a role as a reagent and an allergen.

SMILES: OC1=NC(=S)N=C(O)C1

SELFIES: [O][C][=N][C][=Branch1][C][=S][N][=C][Branch1][C][O][C][Ring1][Branch2]

InChI: InChI=1S/C4H4N2O2S/c7-2-1-3(8)6-4(9)5-2/h1H2,(H2,5,6,7,8,9)

Molecular Properties:
- Polar Surface Area: 90.3 Ų
- LogP: -0.9