Basic information
- CAS
592475-41-7- Standard SMILES
CCN(CC)c1ccc(C=C2SC(=O)N(CC(=O)OC(C)C)C2=O)cc1- InChIKey
NCWYDSBHJBOROP-UHFFFAOYSA-N- Molecular formula
- C19H24N2O4S
- Average molar mass
- 376.5 g/mol
- Monoisotopic mass
- 376.14567842
Names & identifiers
- Preferred name
- Propan-2-yl 2-[5-[[4-(diethylamino)phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
- IUPAC
- propan-2-yl 2-[5-[[4-(diethylamino)phenyl]methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]acetate
- English name
- isopropyl {5-[4-(diethylamino)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate
- Molecular formula
- C19H24N2O4S
- Molecular weight
- 376.47
Names & synonyms
isopropyl {5-[4-(diethylamino)benzylidene]-2,4-dioxo-1,3-thiazolidin-3-yl}acetate
Database identifiers
- CAS
592475-41-7- PubChem CID
- 5075544
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 92.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 564
Physicochemical properties
- Boiling point
- 519.619 · 519.619±60.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.247 · 1.247±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 5.603 · 5.603±0.44(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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