5-Benzylidene-3-phenethyl-2-thioxo-thiazolidin-4-one
Basic information
- CAS
302824-42-6- Standard SMILES
O=C1/C(=C/c2ccccc2)SC(=S)N1CCc1ccccc1- InChIKey
OXUMWMCJBWOBKY-SSZFMOIBSA-N- Molecular formula
- C18H15NOS2
- Average molar mass
- 325.5 g/mol
- Monoisotopic mass
- 325.05950645
Names & identifiers
- Preferred name
- 5-Benzylidene-3-phenethyl-2-thioxo-thiazolidin-4-one
- IUPAC
- (5Z)-5-benzylidene-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
- English name
- 5-benzylidene-3-(2-phenylethyl)-2-thioxo-1,3-thiazolidin-4-one
- Molecular formula
- C18H15NOS2
- Molecular weight
- 325.45
Names & synonyms
5-benzylidene-3-(2-phenylethyl)-2-thioxo-1,3-thiazolidin-4-one5-Benzylidene-3-phenethyl-2-thioxo-thiazolidin-4-oneWAY-312904AKOS000350140ST50237133AB00088715-01AG-690/367220023-(2-phenylethyl)-5-(phenylmethylene)-2-thioxo-1,3-thiazolidin-4-one5-benzylidene-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one(5Z)-5-benzylidene-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Database identifiers
- CAS
302824-42-6- PubChem CID
- 1731769
- EC Number
- 164-634-0
Properties
Computed structural properties
- XLogP
- 4.9
- Topological polar surface area
- 77.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 4
- Heavy atoms
- 22
- Formal charge
- 0
- Complexity
- 448
Physicochemical properties
- Melting point
- 126 · 126-128 °C(Solvent: Ethanol)
- Boiling point
- 484 · 484.000±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.326 · 1.326±0.10 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -2.771 · -2.771±0.20(predicted)
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