Basic information
- Standard SMILES
CCc1sc(C2CCSCC2)cc1C=O- InChIKey
WEYHDEWBLLMKGU-UHFFFAOYSA-N- Molecular formula
- C12H16OS2
- Average molar mass
- 240.4 g/mol
- Monoisotopic mass
- 240.06425748
Names & identifiers
- Preferred name
- 2-ethyl-5-(tetrahydro-2H-thiopyran-4-yl)thiophene-3-carbaldehyde
- IUPAC
- 2-ethyl-5-(thian-4-yl)thiophene-3-carbaldehyde
Names & synonyms
SCHEMBL3095715WEYHDEWBLLMKGU-UHFFFAOYSA-N2-ethyl-5-(tetrahydro-2H-thiopyran-4-yl)thiophene-3-carbaldehyde
Database identifiers
- PubChem CID
- 86646393
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 70.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 214
Related reactions
4 records
Compound notes
Loading…