5-[(4-Chloroanilino)methylidene]-3-(4-methylphenyl)-1-oxo-1,3-thiazolidin-4-one
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Basic information
- CAS
338753-41-6- Standard SMILES
Cc1ccc(N2C[S+]([O-])C(=CNc3ccc(Cl)cc3)C2=O)cc1- InChIKey
ZZJBGMZUTMOOLH-UHFFFAOYSA-N- Molecular formula
- C17H15ClN2O2S
- Average molar mass
- 346.8 g/mol
- Monoisotopic mass
- 346.0542766
Names & identifiers
- Preferred name
- 5-[(4-Chloroanilino)methylidene]-3-(4-methylphenyl)-1-oxo-1,3-thiazolidin-4-one
- IUPAC
- 5-[(4-chloroanilino)methylidene]-3-(4-methylphenyl)-1-oxo-1,3-thiazolidin-4-one
- English name
- 5-[(4-CHLOROANILINO)METHYLENE]-3-(4-METHYLPHENYL)-4-OXO-1,3-THIAZOLAN-1-IUM-1-OLATE
- Molecular formula
- C17H15ClN2O2S
- Molecular weight
- 346.83
Names & synonyms
Bionet2_0015115-[(4-CHLOROANILINO)METHYLENE]-3-(4-METHYLPHENYL)-4-OXO-1,3-THIAZOLAN-1-IUM-1-OLATE(5E)-5-{[(4-chlorophenyl)amino]methylidene}-3-(4-methylphenyl)-4-oxo-1,3-thiazolidin-1-ium-1-olate
Database identifiers
- CAS
338753-41-6- PubChem CID
- 3845540
Properties
Computed structural propertiesFilling in
- XLogP
- 3.2
- Topological polar surface area
- 68.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 495
Physicochemical properties
- Boiling point
- 550.272 · 550.272±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.454 · 1.454±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -0.153 · -0.153±0.20(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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