4-Thiazolidinone, 3,3'-(1,2-ethanediyl)bis(2-(3-pyridinyl)-, 1,1,1',1'-tetroxide, (R*,S*)-
Completing data — refresh the page later to see the latest
Basic information
- CAS
131420-54-7- Standard SMILES
O=C1CS(=O)(=O)[C@H](c2cccnc2)N1CCN1C(=O)CS(=O)(=O)[C@H]1c1cccnc1- InChIKey
TUJVVIPMVVCBNH-HDICACEKSA-N- Molecular formula
- C18H18N4O6S2
- Average molar mass
- 450.5 g/mol
- Monoisotopic mass
- 450.06677665
Names & identifiers
- Preferred name
- 4-Thiazolidinone, 3,3'-(1,2-ethanediyl)bis(2-(3-pyridinyl)-, 1,1,1',1'-tetroxide, (R*,S*)-
- IUPAC
- (2S)-1,1-dioxo-2-pyridin-3-yl-3-[2-[(2R)-1,1,4-trioxo-2-pyridin-3-yl-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one
- English name
- Brn 4240768
- Molecular formula
- C18H18N4O6S2
- Molecular weight
- 450.49
Names & synonyms
4-Thiazolidinone, 3,3'-(1,2-ethanediyl)bis(2-(3-pyridinyl)-, 1,1,1',1'-tetroxide, (R*,S*)-131420-54-7(R*,S*)-3,3'-(1,2-Ethanediyl)bis(2-(3-pyridinyl)-4-thiazolidinone) 1,1,1',1'-tetroxideDTXSID80157046(2R)-2-(Pyridin-3-yl)-3-{2-[(2S)-1,1,4-trioxo-2-(pyridin-3-yl)-1lambda~6~,3-thiazolidin-3-yl]ethyl}-1lambda~6~,3-thiazolidine-1,1,4-trioneBrn 4240768
Database identifiers
- CAS
131420-54-7- PubChem CID
- 3076486
- DTXSID
DTXSID80157046
Properties
Computed structural propertiesFilling in
- XLogP
- -1.3
- Topological polar surface area
- 151 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 821
Physicochemical properties
- Boiling point
- 925.52 · 925.520±65.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.532 · 1.532±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- 3.765 · 3.765±0.12(predicted)
- EWG's Food Scores
- 1 · 1
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…