Basic information
- Standard SMILES
CC1(c2ccc(F)cc2)OC(CC(SCCO)c2ccsc2)=CC1=O- InChIKey
PJJOYYDYYXUDFY-UHFFFAOYSA-N- Molecular formula
- C19H19FO3S2
- Average molar mass
- 378.5 g/mol
Names & identifiers
- Preferred name
- 2-(4-fluorophenyl)-5-[2-[(2-hydroxyethyl)thio]-2-(3-thienyl)ethyl]-2-methylfuran-3(2H)-one
- IUPAC
- 2-(4-fluorophenyl)-5-[2-(2-hydroxyethylsulfanyl)-2-thiophen-3-ylethyl]-2-methylfuran-3-one
Names & synonyms
SCHEMBL6754598PJJOYYDYYXUDFY-UHFFFAOYSA-N2-(4-fluorophenyl)-5-[2-[(2-hydroxyethyl)thio]-2-(3-thienyl)ethyl]-2-methylfuran-3(2H)-one
Database identifiers
- PubChem CID
- 10271015
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 100 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 7
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 505
Related reactions
2 records
Compound notes
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