4-Thiazolidinone, 3,3'-(1,2-ethanediyl)bis(2-(2-furanyl)-, 1,1,1',1'-tetroxide, (R*,S*)-
Basic information
- CAS
131420-46-7- Standard SMILES
O=C1CS(=O)(=O)[C@H](c2ccco2)N1CCN1C(=O)CS(=O)(=O)[C@H]1c1ccco1- InChIKey
RWQOWNAGKRFKDL-IYBDPMFKSA-N- Molecular formula
- C16H16N2O8S2
- Average molar mass
- 428.4 g/mol
- Monoisotopic mass
- 428.03480782
Names & identifiers
- Preferred name
- 4-Thiazolidinone, 3,3'-(1,2-ethanediyl)bis(2-(2-furanyl)-, 1,1,1',1'-tetroxide, (R*,S*)-
- IUPAC
- (2R)-2-(furan-2-yl)-3-[2-[(2S)-2-(furan-2-yl)-1,1,4-trioxo-1,3-thiazolidin-3-yl]ethyl]-1,1-dioxo-1,3-thiazolidin-4-one
- English name
- Brn 4240703
- Molecular formula
- C16H16N2O8S2
- Molecular weight
- 428.44
Names & synonyms
4-Thiazolidinone, 3,3'-(1,2-ethanediyl)bis(2-(2-furanyl)-, 1,1,1',1'-tetroxide, (R*,S*)-131420-46-7(R*,S*)-3,3'-(1,2-Ethanediyl)bis(2-(2-furanyl)-4-thiazolidinone) 1,1,1',1'-tetroxideDTXSID50157038(2R)-2-(Furan-2-yl)-3-{2-[(2S)-2-(furan-2-yl)-1,1,4-trioxo-1lambda~6~,3-thiazolidin-3-yl]ethyl}-1lambda~6~,3-thiazolidine-1,1,4-trioneBrn 4240703
Database identifiers
- CAS
131420-46-7- PubChem CID
- 3076478
- DTXSID
DTXSID50157038
Properties
Computed structural properties
- XLogP
- -1
- Topological polar surface area
- 152 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 788
Physicochemical properties
- Boiling point
- 870.847 · 870.847±65.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.568 · 1.568±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -2.913 · -2.913±0.40(predicted)
- EWG's Food Scores
- 1 · 1
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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