Basic information
- CAS
723748-67-2- Standard SMILES
O=C1SC(=Cc2cc(Br)c(OCc3ccccc3Cl)c(Br)c2)C(=O)N1c1ccc(Cl)cc1- InChIKey
OOVPSSDNZUANHU-UHFFFAOYSA-N- Molecular formula
- C23H13Br2Cl2NO3S
- Average molar mass
- 614.1 g/mol
- Monoisotopic mass
- 610.83599
Names & identifiers
- Preferred name
- 3-(4-Chlorophenyl)-5-[[3,5-dibromo-4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
- IUPAC
- 3-(4-chlorophenyl)-5-[[3,5-dibromo-4-[(2-chlorophenyl)methoxy]phenyl]methylidene]-1,3-thiazolidine-2,4-dione
- English name
- 3-(4-chlorophenyl)-5-{3,5-dibromo-4-[(2-chlorobenzyl)oxy]benzylidene}-1,3-thiazolidine-2,4-dione
- Molecular formula
- C23H13Br2Cl2NO3S
- Molecular weight
- 614.13
Names & synonyms
3-(4-chlorophenyl)-5-{3,5-dibromo-4-[(2-chlorobenzyl)oxy]benzylidene}-1,3-thiazolidine-2,4-dione
Database identifiers
- CAS
723748-67-2- PubChem CID
- 5061467
Properties
Computed structural properties
- XLogP
- 8
- Topological polar surface area
- 71.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 32
- Formal charge
- 0
- Complexity
- 722
Physicochemical properties
- Boiling point
- 689.113 · 689.113±65.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.779 · 1.779±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -1.815 · -1.815±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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