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Chemical Product CAS:6529-70-0(5E)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-3-(4-nitrophenyl)-2-thioxo-1,3-thiazolidin-4-one


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(5E)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methyl ( CASNO:6529-70-0 )

Identification and Related Records
CAS Registry number:
Iupac name:
4-thiazolidinone, 5-[(4-hydroxy-3,5-dimethoxyphenyl)methylene]-3-(4-nitrophenyl)-2-thioxo-, (5E)-
Molecular Formula:
Molecular Weight:
Canonical SMILES:
Isomers smiles:
Chemical and Physical Properties
Boiling Point:
620.2°C at 760 mmHg
Refractive Index:
Flash Point:
Computed Properties:
Molecular Weight:418.44356 [g/mol]
Molecular Formula:C18H14N2O6S2
H-Bond Donor:1
H-Bond Acceptor:8
Rotatable Bond Count:4
Tautomer Count:2
Exact Mass:418.029328
MonoIsotopic Mass:418.029328
Topological Polar Surface Area:162
Heavy Atom Count:28
Formal Charge:0
Isotope Atom Count:0
Defined Atom Stereocenter Count:0
Undefined Atom Stereocenter Count:0
Defined Bond Stereocenter Count:1
Undefined Bond Stereocenter Count:0
Covalently-Bonded Unit Count:1
Feature 3D Acceptor Count:6
Feature 3D Donor Count:1
Feature 3D Anion Count:1
Feature 3D Ring Count:3
Effective Rotor Count:5.4
Conformer Sampling RMSD:0.8
CID Conformer Count:2
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