4-Thiazolidinone, 3,3'-(1,2-ethanediyl)bis(2-(5-methyl-2-furanyl)-, (R*,R*)-(+-)-
Completing data — refresh the page later to see the latest
Basic information
- CAS
131420-35-4- Standard SMILES
Cc1ccc([C@H]2SCC(=O)N2CCN2C(=O)CS[C@@H]2c2ccc(C)o2)o1- InChIKey
SBOVMLPZYDERBM-QZTJIDSGSA-N- Molecular formula
- C18H20N2O4S2
- Average molar mass
- 392.5 g/mol
- Monoisotopic mass
- 392.08644947
Names & identifiers
- Preferred name
- 4-Thiazolidinone, 3,3'-(1,2-ethanediyl)bis(2-(5-methyl-2-furanyl)-, (R*,R*)-(+-)-
- IUPAC
- (2R)-2-(5-methylfuran-2-yl)-3-[2-[(2R)-2-(5-methylfuran-2-yl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one
- English name
- Brn 4239799
- Molecular formula
- C18H20N2O4S2
- Molecular weight
- 392.5
Names & synonyms
131420-35-44-Thiazolidinone, 3,3'-(1,2-ethanediyl)bis(2-(5-methyl-2-furanyl)-, (R*,R*)-(+-)-RefChem:1071665BRN 4239799(R*,S*)-3,3'-(1,2-Ethanediyl)bis(2-(5-methyl-2-furanyl)-4-thiazolidinone)4-Thiazolidinone, 3,3'-(1,2-ethanediyl)bis(2-(5-methyl-2-furanyl)-, (R*,S*)-131420-36-5(R*,R*)-(+-)-3,3'-(1,2-Ethanediyl)bis(2-(5-methyl-2-furanyl)-4-thiazolidinone)DTXSID00927187(2R,2'R)-3,3'-(Ethane-1,2-diyl)bis[2-(5-methylfuran-2-yl)-1,3-thiazolidin-4-one]3,3'-(Ethane-1,2-diyl)bis[2-(5-methylfuran-2-yl)-1,3-thiazolidin-4-one]
Database identifiers
- CAS
131420-35-4、131420-36-5- PubChem CID
- 3076472
- DTXSID
DTXSID00927187
Properties
Computed structural propertiesFilling in
- XLogP
- 2.4
- Topological polar surface area
- 118 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 515
Physicochemical properties
- Boiling point
- 653.647 · 653.647±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.346 · 1.346±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -1.758 · -1.758±0.40(predicted)
- EWG's Food Scores
- 1 · 1
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…