1-(3-Fluoro-4-methoxyphenyl)-2-[4-(methylthio)phenyl]ethane-1,2-dione

HCID 18463597

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

Related reactions

3 records

Compound notes

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