Propan-2-yl 2-[5-(naphthalen-1-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
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Basic information
- CAS
592548-82-8- Standard SMILES
CC(C)OC(=O)CN1C(=O)SC(=Cc2cccc3ccccc23)C1=O- InChIKey
GUONJQXIFSKFGD-UHFFFAOYSA-N- Molecular formula
- C19H17NO4S
- Average molar mass
- 355.4 g/mol
- Monoisotopic mass
- 355.0878292
Names & identifiers
- Preferred name
- Propan-2-yl 2-[5-(naphthalen-1-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
- IUPAC
- propan-2-yl 2-[5-(naphthalen-1-ylmethylidene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
- English name
- isopropyl [5-(1-naphthylmethylene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
- Molecular formula
- C19H17NO4S
- Molecular weight
- 355.41
Names & synonyms
isopropyl [5-(1-naphthylmethylene)-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
Database identifiers
- CAS
592548-82-8- PubChem CID
- 1229478
Properties
Computed structural propertiesFilling in
- XLogP
- 4.3
- Topological polar surface area
- 89 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 586
Physicochemical properties
- Boiling point
- 522.121 · 522.121±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.341 · 1.341±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -2.997 · -2.997±0.20(predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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