4-Oxo-2-phenyl-4H-1-benzothiopyran-8-carbaldehyde
Basic information
- CAS
94127-71-6- Standard SMILES
O=Cc1cccc2c(=O)cc(-c3ccccc3)sc12- InChIKey
PLGBCMYZYBKTFZ-UHFFFAOYSA-N- Molecular formula
- C16H10O2S
- Average molar mass
- 266.3 g/mol
- Monoisotopic mass
- 266.04015073
Names & identifiers
- Preferred name
- 4-Oxo-2-phenyl-4H-1-benzothiopyran-8-carbaldehyde
- IUPAC
- 4-oxo-2-phenylthiochromene-8-carbaldehyde
Names & synonyms
94127-71-64-Oxo-2-phenyl-4H-1-benzothiopyran-8-carbaldehydeSCHEMBL10632948DTXSID10538642PLGBCMYZYBKTFZ-UHFFFAOYSA-N2-phenyl-4-oxo-4H-thiochromen-8-aldehyde
Database identifiers
- CAS
94127-71-6- PubChem CID
- 13374841
- DTXSID
DTXSID10538642
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 59.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 396
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
2 records
Compound notes
Loading…