5-Methoxy-2-phenylthiochromen-4-one
Basic information
- CAS
86406-07-7- Standard SMILES
COc1cccc2sc(-c3ccccc3)cc(=O)c12- InChIKey
ZDXFSBAMCGHZIK-UHFFFAOYSA-N- Molecular formula
- C16H12O2S
- Average molar mass
- 268.3 g/mol
- Monoisotopic mass
- 268.05580079
Names & identifiers
- Preferred name
- 5-Methoxy-2-phenylthiochromen-4-one
- IUPAC
- 5-methoxy-2-phenylthiochromen-4-one
- English name
- 5-methoxy-2-phenyl-4H-thiochromen-4-one
- Molecular formula
- C16H12O2S
- Molecular weight
- 268.33
Names & synonyms
86406-07-75-Methoxy-2-phenylthiochromen-4-oneDTXSID30320788RefChem:303775DTXCID902719095-Methoxy-2-phenyl-4H-thiochromen-4-one5-Methoxy-2-phenyl-thiochromen-4-one4H-1-Benzothiopyran-4-one, 5-methoxy-2-phenyl-NSC3643522Ph5MeO-Bzthiopyran4oneCHEMBL294017NSC-364352
Show more names
DS-0090085-Methoxy-2-phenyl-4H-1-benzothiopyran-4-one
Database identifiers
- CAS
86406-07-7- PubChem CID
- 339167
- DTXSID
DTXSID30320788- ChEMBL
CHEMBL294017
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 51.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 371
Physicochemical properties
- Melting point
- 204 · 204-205 °C
- Boiling point
- 441.9 · 441.9±45.0 °C(Predicted)
- Density
- 1.267 · 1.267±0.06 g/cm3(Predicted)
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Related reactions
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Compound notes
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