Basic information
- CAS
831225-62-8- Standard SMILES
CCc1csc2c1c(=O)oc1ccccc12- InChIKey
UUPOLIRNPOYKBW-UHFFFAOYSA-N- Molecular formula
- C13H10O2S
- Average molar mass
- 230.28 g/mol
- Monoisotopic mass
- 230.04015073
Names & identifiers
- Preferred name
- 4H-Thieno[3,2-c][1]benzopyran-4-one, 3-ethyl-
- IUPAC
- 3-ethylthieno[3,2-c]chromen-4-one
- English name
- 3-Ethyl-4H-thieno[3,2-c][1]benzopyran-4-one
- Molecular formula
- C13H10O2S
- Molecular weight
- 230.28
Names & synonyms
831225-62-84H-Thieno[3,2-c][1]benzopyran-4-one, 3-ethyl-3-ETHYL-4H-THIENO[3,2-C]CHROMEN-4-ONEDTXSID904587533-ethylthieno[3,2-c]benzopyran-4-one3-Ethyl-4H-thieno[3,2-c][1]benzopyran-4-one
Database identifiers
- CAS
831225-62-8- PubChem CID
- 11206970
- DTXSID
DTXSID90458753
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 54.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 292
Physicochemical properties
- Melting point
- 87 °C · 87 °C
- Boiling point
- 403.6 · 403.6±24.0 °C(Predicted)
- Density
- 1.309 · 1.309±0.06 g/cm3(Temp: 20 °C; Press: 760 Torr)(Predicted)
Chemistry & industry
Suppliers1 total
CHEMSTEP[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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