Basic information
- CAS
663204-20-4- Standard SMILES
CCCCN1C(=O)C(=Cc2ccc(OCC)c(OCC)c2)NC1=S- InChIKey
KHWXZZBVNGSYKA-UHFFFAOYSA-N- Molecular formula
- C18H24N2O3S
- Average molar mass
- 348.5 g/mol
Names & identifiers
- Preferred name
- 3-Butyl-5-[(3,4-diethoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
- IUPAC
- 3-butyl-5-[(3,4-diethoxyphenyl)methylidene]-2-sulfanylideneimidazolidin-4-one
- English name
- 3-butyl-5-(3,4-diethoxybenzylidene)-2-thioxo-4-imidazolidinone
- Molecular formula
- C18H24N2O3S
- Molecular weight
- 348.46
Names & synonyms
3-butyl-5-(3,4-diethoxybenzylidene)-2-thioxo-4-imidazolidinone
Database identifiers
- CAS
663204-20-4
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 82.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 8
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 481
Physicochemical properties
- Boiling point
- 469.458 · 469.458±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.207 · 1.207±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 10.33 · 10.330±0.20(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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