4-Thiazolidinone, 3,3'-(1,2-ethanediyl)bis(2-(2-pyridinyl)-, 1,1,1',1'-tetroxide, (R*,R*)-(+-)-
Basic information
- CAS
131420-53-6- Standard SMILES
O=C1CS(=O)(=O)[C@@H](c2cccnc2)N1CCN1C(=O)CS(=O)(=O)[C@H]1c1cccnc1- InChIKey
TUJVVIPMVVCBNH-ROUUACIJSA-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-(2-pyridinyl)-, 1,1,1',1'-tetroxide, (R*,R*)-(+-)-
- IUPAC
- (2S)-1,1-dioxo-2-pyridin-3-yl-3-[2-[(2S)-1,1,4-trioxo-2-pyridin-3-yl-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one
Names & synonyms
BRN 42407684-Thiazolidinone, 3,3'-(1,2-ethanediyl)bis(2-(2-pyridinyl)-, 1,1,1',1'-tetroxide, (R*,R*)-(+-)-131420-53-6(R*,R*)-(+-)-3,3'-(1,2-Ethanediyl)bis(2-(2-pyridinyl)-4-thiazolidinone) 1,1,1',1'-tetroxideDTXSID20157045RefChem:296581DTXCID2079536(2S,2'S)-3,3'-(Ethane-1,2-diyl)bis[2-(pyridin-3-yl)-1lambda~6~,3-thiazolidine-1,1,4-trione]
Database identifiers
- CAS
131420-53-6- PubChem CID
- 3076485
- DTXSID
DTXSID20157045
Properties
Computed structural properties
- 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
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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