3,3'-(Ethane-1,2-diyl)bis(2-(5-methylthiophen-2-yl)-1,3-thiazolidin-4-one)
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Basic information
- CAS
131420-39-8- Standard SMILES
Cc1ccc([C@H]2SCC(=O)N2CCN2C(=O)CS[C@@H]2c2ccc(C)s2)s1- InChIKey
MZVHNWQFFUKNLD-QZTJIDSGSA-N- Molecular formula
- C18H20N2O2S4
- Average molar mass
- 424.6 g/mol
- Monoisotopic mass
- 424.04076258
Names & identifiers
- Preferred name
- 3,3'-(Ethane-1,2-diyl)bis(2-(5-methylthiophen-2-yl)-1,3-thiazolidin-4-one)
- IUPAC
- (2R)-2-(5-methylthiophen-2-yl)-3-[2-[(2R)-2-(5-methylthiophen-2-yl)-4-oxo-1,3-thiazolidin-3-yl]ethyl]-1,3-thiazolidin-4-one
- English name
- Brn 4239800
- Molecular formula
- C18H20N2O2S4
- Molecular weight
- 424.63
Names & synonyms
131420-39-8DTXSID209271893,3'-(Ethane-1,2-diyl)bis(2-(5-methylthiophen-2-yl)-1,3-thiazolidin-4-one)3,3'-(Ethane-1,2-diyl)bis[2-(5-methylthiophen-2-yl)-1,3-thiazolidin-4-one]RefChem:1065535DTXCID101355988BRN 4239800(R*,S*)-3,3'-(1,2-Ethanediyl)bis(2-(5-methyl-2-thienyl)-4-thiazolidinone)(R*,R*)-(+-)-3,3'-(1,2-Ethanediyl)bis(2-(5-methyl-2-thienyl)-4-thiazolidinone)4-Thiazolidinone, 3,3'-(1,2-ethanediyl)bis(2-(5-methyl-2-thienyl)-, (R*,R*)-(+-)-4-Thiazolidinone, 3,3'-(1,2-ethanediyl)bis(2-(5-methyl-2-thienyl)-, (R*,S*)-131420-40-1
Show more names
(2R,2'R)-3,3'-(Ethane-1,2-diyl)bis[2-(5-methylthiophen-2-yl)-1,3-thiazolidin-4-one]
Database identifiers
- CAS
131420-39-8、131420-40-1- PubChem CID
- 3076474
- DTXSID
DTXSID20927189
Properties
Computed structural propertiesFilling in
- XLogP
- 3.6
- Topological polar surface area
- 148 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 515
Physicochemical properties
- Boiling point
- 697.601 · 697.601±55.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 1.392 · 1.392±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- pka
- -1.889 · -1.889±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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