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ethyl 2-[(5E)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate

ethyl 2-[(5E)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate

Formula: C15H14FNO4S

SMILES: CCOC(=O)C(C)N1C(=O)SC(=CC2=CC=C(F)C=C2)C1=O

IUPAC: ethyl 2-[(5E)-5-[(4-fluorophenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate

InChI: InChI=1/C15H14FNO4S/c1-3-21-14(19)9(2)17-13(18)12(22-15(17)20)8-10-4-6-11(16)7-5-10/h4-9H,3H2,1-2H3/b12-8+

Composition: C (55.72%), H (4.36%), F (5.88%), N (4.33%), O (19.79%), S (9.92%)

Molar Mass: 323.34

Atom Count: 36

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 323.062757272
Formal Charge 0
FSP3 0.27
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey AXJIFFXPFPROGZ-XYOKQWHBNA-N
Lipinski's Rule of Five 1
Molar Refractivity 81.43
Topological Polar Surface Area 63.68
Polarizability 30.85
Ring Count 2
Rotatable Bond Count 5

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C15H14FNO4S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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