5-[(3,4-Dimethoxyphenyl)methylidene]-3-(4-ethoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
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Basic information
- CAS
303217-71-2- Standard SMILES
CCOc1ccc(N2C(=O)C(=Cc3ccc(OC)c(OC)c3)SC2=S)cc1- InChIKey
HXDHHBCBPXSYHO-UHFFFAOYSA-N- Molecular formula
- C20H19NO4S2
- Average molar mass
- 401.5 g/mol
- Monoisotopic mass
- 401.07555043
Names & identifiers
- Preferred name
- 5-[(3,4-Dimethoxyphenyl)methylidene]-3-(4-ethoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
- IUPAC
- 5-[(3,4-dimethoxyphenyl)methylidene]-3-(4-ethoxyphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
- English name
- 5-(3,4-dimethoxybenzylidene)-3-(4-ethoxyphenyl)-2-thioxo-1,3-thiazolidin-4-one
- Molecular formula
- C20H19NO4S2
- Molecular weight
- 401.5
Names & synonyms
5-(3,4-dimethoxybenzylidene)-3-(4-ethoxyphenyl)-2-thioxo-1,3-thiazolidin-4-one4-Thiazolidinone, 5-[(3,4-dimethoxyphenyl)methylene]-3-(4-ethoxyphenyl)-2-thioxo-
Database identifiers
- CAS
303217-71-2- PubChem CID
- 1230217
Properties
Computed structural propertiesFilling in
- XLogP
- 4.8
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 574
Physicochemical properties
- Boiling point
- 563.3 · 563.3±60.0 °C(Predicted)
- Density
- 1.36 · 1.36±0.1 g/cm3(Predicted)
- pka
- -0.49 · -0.49±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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