5-Benzyl-3-phenylthiazolidine-2,4-dione
Basic information
- CAS
618396-02-4- Standard SMILES
O=C1SC(Cc2ccccc2)C(=O)N1c1ccccc1- InChIKey
YBASYDYUUWVFFT-UHFFFAOYSA-N- Molecular formula
- C16H13NO2S
- Average molar mass
- 283.3 g/mol
- Monoisotopic mass
- 283.06669983
Names & identifiers
- Preferred name
- 5-Benzyl-3-phenylthiazolidine-2,4-dione
- IUPAC
- 5-benzyl-3-phenyl-1,3-thiazolidine-2,4-dione
- English name
- 5-benzyl-3-phenyl-1,3-thiazolidine-2,4-dione
- Molecular formula
- C16H13NO2S
- Molecular weight
- 283.34
Names & synonyms
5-Benzyl-3-phenylthiazolidine-2,4-dione618396-02-45-benzyl-3-phenyl-1,3-thiazolidine-2,4-dioneMFCD040650965-Benzyl-3-phenyl-thiazolidine-2,4-dioneNSC153117MLS000559947CHEMBL1345208SCHEMBL15503737DTXSID201332197HMS2800E19STL069663
Show more names
2,4-Thiazolidinedione, 3-phenyl-5-(phenylmethyl)-
AKOS002186251AKOS016073283NSC-153117AS-96665SMR000439344SY288558CS-0454250ST50077213
Database identifiers
- CAS
618396-02-4- PubChem CID
- 290163
- DTXSID
DTXSID201332197- ChEMBL
CHEMBL1345208
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 62.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 373
Experimental & physicochemical properties
Solubility6.1 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Boiling point
- 427.8 · 427.8±28.0 °C(Predicted)
- Density
- 1.319 · 1.319±0.06 g/cm3(Predicted)
- pka
- -0.7 · -0.70±0.40(Predicted)
Suppliers
Loading…
Open inquiries
Loading…
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…