3,3'-(Ethane-1,2-diyl)bis(2-(thiophen-2-yl)-1,3-thiazolidin-4-one)
Basic information
- CAS
131420-37-6- Standard SMILES
O=C1CS[C@H](c2cccs2)N1CCN1C(=O)CS[C@@H]1c1cccs1- InChIKey
QOECHTBSDVADOD-HZPDHXFCSA-N- Molecular formula
- C16H16N2O2S4
- Average molar mass
- 396.6 g/mol
- Monoisotopic mass
- 396.00946245
Names & identifiers
- Preferred name
- 3,3'-(Ethane-1,2-diyl)bis(2-(thiophen-2-yl)-1,3-thiazolidin-4-one)
- IUPAC
- (2R)-3-[2-[(2R)-4-oxo-2-thiophen-2-yl-1,3-thiazolidin-3-yl]ethyl]-2-thiophen-2-yl-1,3-thiazolidin-4-one
- English name
- Brn 4239405
- Molecular formula
- C16H16N2O2S4
- Molecular weight
- 396.58
Names & synonyms
131420-37-6DTXSID609271883,3'-(Ethane-1,2-diyl)bis(2-(thiophen-2-yl)-1,3-thiazolidin-4-one)3,3'-(Ethane-1,2-diyl)bis[2-(thiophen-2-yl)-1,3-thiazolidin-4-one]RefChem:1065538DTXCID401355987BRN 4239405(R*,S*)-3,3'-(1,2-Ethanediyl)bis(2-(2-thienyl)-4-thiazolidinone)(R*,R*)-(+-)-3,3'-(1,2-Ethanediyl)bis(2-(2-thienyl)-4-thiazolidinone)4-Thiazolidinone, 3,3'-(1,2-ethanediyl)bis(2-(2-thienyl)-, (R*,R*)-(+-)-4-Thiazolidinone, 3,3'-(1,2-ethanediyl)bis(2-(2-thienyl)-, (R*,S*)-131420-38-7
Show more names
(2R,2'R)-3,3'-(Ethane-1,2-diyl)bis[2-(thiophen-2-yl)-1,3-thiazolidin-4-one]
Database identifiers
- CAS
131420-37-6、131420-38-7- PubChem CID
- 3076473
- DTXSID
DTXSID60927188
Properties
Computed structural properties
- XLogP
- 2.8
- Topological polar surface area
- 148 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 462
Physicochemical properties
- Boiling point
- 698.795 · 698.795±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.456 · 1.456±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -1.905 · -1.905±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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