Basic information
- Standard SMILES
COc1ccc(C(=O)C(=O)c2ccc(SC)cc2)cc1F- InChIKey
GTMMRYPDWAPTHM-UHFFFAOYSA-N- Molecular formula
- C16H13FO3S
- Average molar mass
- 304.3 g/mol
Names & identifiers
- Preferred name
- 1-(3-Fluoro-4-methoxyphenyl)-2-[4-(methylthio)phenyl]ethane-1,2-dione
- IUPAC
- 1-(3-fluoro-4-methoxyphenyl)-2-(4-methylsulfanylphenyl)ethane-1,2-dione
Names & synonyms
SCHEMBL7090705GTMMRYPDWAPTHM-UHFFFAOYSA-N1-(3-fluoro-4-methoxyphenyl)-2-[4-(methylthio)phenyl]ethane-1 2-dione1-(3-fluoro-4-methoxyphenyl)-2-[4-(methylthio)phenyl]ethane-1,2-dione
Database identifiers
- PubChem CID
- 18463597
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 68.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 380
Related reactions
3 records
Compound notes
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