Basic information
- CAS
428836-73-1- Standard SMILES
Cc1ccc(C=C2SC(=O)N(Cc3ccc(F)cc3)C2=O)o1- InChIKey
OSSIVBMZRQBUME-UHFFFAOYSA-N- Molecular formula
- C16H12FNO3S
- Average molar mass
- 317.3 g/mol
- Monoisotopic mass
- 317.05219258
Names & identifiers
- Preferred name
- 3-[(4-Fluorophenyl)methyl]-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
- IUPAC
- 3-[(4-fluorophenyl)methyl]-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione
- English name
- 3-(4-fluorobenzyl)-5-[(5-methyl-2-furyl)methylene]-1,3-thiazolidine-2,4-dione
- Molecular formula
- C16H12FNO3S
- Molecular weight
- 317.34
Names & synonyms
3-[(4-fluorophenyl)methyl]-5-[(5-methylfuran-2-yl)methylidene]-1,3-thiazolidine-2,4-dione3-(4-fluorobenzyl)-5-[(5-methyl-2-furyl)methylene]-1,3-thiazolidine-2,4-dione
Database identifiers
- CAS
428836-73-1- PubChem CID
- 2901195
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 75.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 488
Physicochemical properties
- Boiling point
- 454.145 · 454.145±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.432 · 1.432±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -2.86 · -2.860±0.20(predicted)
Chemistry & industry
Suppliers1 total
SPECS[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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