4-Thiazolidinone, 3,3'-(1,2-ethanediyl)bis(2-(5-methyl-2-thienyl)-, 1,1,1',1'-tetroxide, (R*,S*)-
Basic information
- CAS
131442-41-6- Standard SMILES
Cc1ccc([C@@H]2N(CCN3C(=O)CS(=O)(=O)[C@H]3c3ccc(C)s3)C(=O)CS2(=O)=O)s1- InChIKey
CFFXQCHTNMIZSR-HDICACEKSA-N- Molecular formula
- C18H20N2O6S4
- Average molar mass
- 488.6 g/mol
- Monoisotopic mass
- 488.02042106
Names & identifiers
- Preferred name
- 4-Thiazolidinone, 3,3'-(1,2-ethanediyl)bis(2-(5-methyl-2-thienyl)-, 1,1,1',1'-tetroxide, (R*,S*)-
- IUPAC
- (2R)-2-(5-methylthiophen-2-yl)-3-[2-[(2S)-2-(5-methylthiophen-2-yl)-1,1,4-trioxo-1,3-thiazolidin-3-yl]ethyl]-1,1-dioxo-1,3-thiazolidin-4-one
- English name
- Brn 4240815
- Molecular formula
- C18H20N2O6S4
- Molecular weight
- 488.62
Names & synonyms
131442-41-64-Thiazolidinone, 3,3'-(1,2-ethanediyl)bis(2-(5-methyl-2-thienyl)-, 1,1,1',1'-tetroxide, (R*,S*)-RefChem:1071666(R*,S*)-3,3'-(1,2-Ethanediyl)bis(2-(5-methyl-2-thienyl)-4-thiazolidinone) 1,1,1',1'-tetroxideBrn 42408154-Thiazolidinone, 3,3'-(1,2-ethanediyl)bis[2-(5-methyl-2-thienyl)-, 1,1,1',1'-tetraoxide, (R*,S*)- (9CI)
Database identifiers
- CAS
131442-41-6- PubChem CID
- 3076487
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 182 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 5
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 849
Physicochemical properties
- Boiling point
- 886.8 · 886.8±65.0 °C(Predicted)
- Density
- 1.53 · 1.530±0.06 g/cm3(Predicted)
- pka
- -3.03 · -3.03±0.40(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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