Molecule ID: 1269845

IUPAC Name: 2-sulfanylidene-1H-pyrimidin-4-one

Description: The molecule is a nucleobase analogue that is uracil in which the oxo group at C-2 is replaced by a thioxo group. It has a role as an antithyroid drug and a metabolite. It is a thiocarbonyl compound and a nucleobase analogue. It derives from a uracil.

SMILES: Oc1ccnc(S)n1

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

InChI: InChI=1S/C4H4N2OS/c7-3-1-2-5-4(8)6-3/h1-2H,(H2,5,6,7,8)

Molecular Properties:
- Polar Surface Area: 73.2 Ų
- LogP: -0.3