Basic information
- CAS
338752-81-1- Standard SMILES
COc1ccc(NC=C2C(=O)N(c3ccc(Cl)cc3)CS2=O)cc1- InChIKey
HITBTKMLCUOXMY-UHFFFAOYSA-N- Molecular formula
- C17H15ClN2O3S
- Average molar mass
- 362.8 g/mol
Names & identifiers
- Preferred name
- 3-(4-Chlorophenyl)-5-[(4-methoxyanilino)methylidene]-1-oxo-1,3-thiazolidin-4-one
- IUPAC
- 3-(4-chlorophenyl)-5-[(4-methoxyanilino)methylidene]-1-oxo-1,3-thiazolidin-4-one
- English name
- 3-(4-Chlorophenyl)-5-[(4-methoxyanilino)methylene]-4-oxo-1,3-thiazolan-1-ium-1-olate
- Molecular formula
- C17H15ClN2O3S
- Molecular weight
- 362.83
Names & synonyms
3-(4-Chlorophenyl)-5-[(4-methoxyanilino)methylene]-4-oxo-1,3-thiazolan-1-ium-1-olate(5E)-3-(4-chlorophenyl)-5-{[(4-methoxyphenyl)amino]methylidene}-4-oxo-1,3-thiazolidin-1-ium-1-olate4(5H)-Thiazolidinone, 3-(4-chlorophenyl)-2,3-dihydro-5-[[(4-methoxyphenyl)amino]methylene]-, 1-oxide
Database identifiers
- CAS
338752-81-1
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 77.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 512
Physicochemical properties
- Boiling point
- 571.5 · 571.5±50.0 °C(Predicted)
- Density
- 1.48 · 1.48±0.1 g/cm3(Predicted)
- pka
- -0.58 · -0.58±0.20(Predicted)
Chemistry & industry
Suppliers3 total
Ryan Scientific, Inc.[email protected]
Key Organics Ltd.[email protected]
BIONET-INTER[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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