Basic information
- CAS
486442-71-1- Standard SMILES
COc1cc(Cl)cc(C=C2SC(=Nc3ccc(Cl)cc3)N(C)C2=O)c1OC- InChIKey
DFVKEVXXGNNGOV-UHFFFAOYSA-N- Molecular formula
- C19H16Cl2N2O3S
- Average molar mass
- 423.3 g/mol
- Monoisotopic mass
- 422.0258689
Names & identifiers
- Preferred name
- 5-[(5-Chloro-2,3-dimethoxyphenyl)methylidene]-2-(4-chlorophenyl)imino-3-methyl-1,3-thiazolidin-4-one
- IUPAC
- 5-[(5-chloro-2,3-dimethoxyphenyl)methylidene]-2-(4-chlorophenyl)imino-3-methyl-1,3-thiazolidin-4-one
- English name
- 5-(5-chloro-2,3-dimethoxybenzylidene)-2-[(4-chlorophenyl)imino]-3-methyl-1,3-thiazolidin-4-one
- Molecular formula
- C19H16Cl2N2O3S
- Molecular weight
- 423.31
Names & synonyms
5-(5-chloro-2,3-dimethoxybenzylidene)-2-[(4-chlorophenyl)imino]-3-methyl-1,3-thiazolidin-4-one
Database identifiers
- CAS
486442-71-1- PubChem CID
- 1228730
Properties
Computed structural properties
- XLogP
- 5.4
- Topological polar surface area
- 76.4 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 608
Physicochemical properties
- Boiling point
- 554.769 · 554.769±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.369 · 1.369±0.14 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -2.735 · -2.735±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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