5,6-Dihydro-4-oxo-5-(2-ethoxycarbonylethyl)thieno[2,3-b]thiopyran
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Basic information
- Standard SMILES
CCOC(=O)CCC1CSc2sccc2C1=O- InChIKey
GTCIWSQRLVRHIF-UHFFFAOYSA-N- Molecular formula
- C12H14O3S2
- Average molar mass
- 270.4 g/mol
- Monoisotopic mass
- 270.03843665
Names & identifiers
- Preferred name
- 5,6-Dihydro-4-oxo-5-(2-ethoxycarbonylethyl)thieno[2,3-b]thiopyran
- IUPAC
- ethyl 3-(4-oxo-5,6-dihydrothieno[2,3-b]thiopyran-5-yl)propanoate
Names & synonyms
SCHEMBL9581983GTCIWSQRLVRHIF-UHFFFAOYSA-N5,6-dihydro-4-oxo-5-(2-ethoxycarbonylethyl)thieno[2,3-b]thiopyran
Database identifiers
- PubChem CID
- 67883166
Properties
Computed structural propertiesFilling in
- XLogP
- 2.5
- Topological polar surface area
- 96.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 306
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Related reactions
3 records
Compound notes
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