4H-1-Benzothiopyran-4-one, 7-methoxy-2-phenyl-
Basic information
- CAS
789-78-6- Standard SMILES
COc1ccc2c(=O)cc(-c3ccccc3)sc2c1- InChIKey
MUMCJGWCGQZTNA-UHFFFAOYSA-N- Molecular formula
- C16H12O2S
- Average molar mass
- 268.3 g/mol
- Monoisotopic mass
- 268.05580079
Names & identifiers
- Preferred name
- 4H-1-Benzothiopyran-4-one, 7-methoxy-2-phenyl-
- IUPAC
- 7-methoxy-2-phenylthiochromen-4-one
Names & synonyms
4H-1-Benzothiopyran-4-one, 7-methoxy-2-phenyl-789-78-6RefChem:10718867-Methoxythioflavone1-Thioflavone, 7-methoxy-NSC364540BRN 1250743Oprea1_035774CHEMBL59932MUMCJGWCGQZTNA-UHFFFAOYSA-NDTXSID401000128AKOS024255050
Show more names
NSC 364540NSC-364540DS-0016507-Methoxy-2-phenyl-4H-thiochromen-4-one #7-Methoxy-2-phenyl-4H-1-benzothiopyran-4-oneThiochroman-4-one, 2,3-dehydro-7-methoxy-2-phenyl-
Database identifiers
- CAS
789-78-6- PubChem CID
- 100774
- DTXSID
DTXSID401000128- ChEMBL
CHEMBL59932
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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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