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methyl 2-[(5Z)-5-[(3-bromo-4,5-dimethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate

methyl 2-[(5Z)-5-[(3-bromo-4,5-dimethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate

Formula: C16H16BrNO6S

SMILES: COC(=O)C(C)N1C(=O)SC(=C/C2=CC(Br)=C(OC)C(OC)=C2)C1=O

IUPAC: methyl 2-[(5Z)-5-[(3-bromo-4,5-dimethoxyphenyl)methylidene]-2,4-dioxo-1,3-thiazolidin-3-yl]propanoate

InChI: InChI=1/C16H16BrNO6S/c1-8(15(20)24-4)18-14(19)12(25-16(18)21)7-9-5-10(17)13(23-3)11(6-9)22-2/h5-8H,1-4H3/b12-7-

Composition: C (44.66%), H (3.75%), Br (18.57%), N (3.26%), O (22.31%), S (7.45%)

Molar Mass: 430.27

Atom Count: 41

Heavy Atom Count: 25

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 428.988171
Formal Charge 0
FSP3 0.31
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 0
InChIKey WQZMKXMSDSRIKD-GHXNOFRVNA-N
Lipinski's Rule of Five 1
Molar Refractivity 97.01
Topological Polar Surface Area 82.14
Polarizability 37.3
Ring Count 2
Rotatable Bond Count 6

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C16H16BrNO6S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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