Basic information
- Standard SMILES
O=C(O)C1C2C=CC(S2)C1C(=O)O- InChIKey
GMWGOATXTIGNFK-UHFFFAOYSA-N- Molecular formula
- C8H8O4S
- Average molar mass
- 200.21 g/mol
- Monoisotopic mass
- 200.01432991
Names & identifiers
- Preferred name
- 7-Thiabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid
- IUPAC
- 7-thiabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid
Names & synonyms
SCHEMBL3291941GMWGOATXTIGNFK-UHFFFAOYSA-N7-thiabicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid
Database identifiers
- PubChem CID
- 21701034
Properties
Computed structural properties
- XLogP
- 0
- Topological polar surface area
- 99.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 13
- Formal charge
- 0
- Complexity
- 271
Related reactions
1 records
Compound notes
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