Molecule ID: 71448990

IUPAC Name: (3aS,4R,6aR)-2-oxo-1,3,3a,4,6,6a-hexahydrothieno[3,4-d]imidazole-4-carboxylic acid

Description: The molecule is a member of the class of thienoimidazoles that is 2-oxohexahydrothieno[3,4-d]imidazole carrying an additional carboxy group at position 4 (the 3aS,4R,6aR-diastereomer). It is an azabicycloalkane, a monocarboxylic acid, a thienoimidazole, a thiabicycloalkane and a member of ureas.

SMILES: O=C(O)[C@@H]1SC[C@@H]2N=C(O)N[C@@H]21

SELFIES: [O][=C][Branch1][C][O][C@@H1][S][C][C@@H1][N][=C][Branch1][C][O][N][C@@H1][Ring1][=Branch1][Ring1][=Branch2]

InChI: InChI=1S/C6H8N2O3S/c9-5(10)4-3-2(1-12-4)7-6(11)8-3/h2-4H,1H2,(H,9,10)(H2,7,8,11)/t2-,3-,4+/m0/s1

Molecular Properties:
- Polar Surface Area: 104.0 Ų
- LogP: -0.7