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(2E,5Z)-5-[(2,3-dibromo-4-hydroxy-5-methoxyphenyl)methylidene]-3-methyl-2-(methylimino)-1,3-thiazolidin-4-one

(2E,5Z)-5-[(2,3-dibromo-4-hydroxy-5-methoxyphenyl)methylidene]-3-methyl-2-(methylimino)-1,3-thiazolidin-4-one

Formula: C13H12Br2N2O3S

SMILES: COC1=C(O)C(Br)=C(Br)C(C=C2/SC(=NC)N(C)C2=O)=C1

IUPAC: (2E,5Z)-5-[(2,3-dibromo-4-hydroxy-5-methoxyphenyl)methylidene]-3-methyl-2-(methylimino)-1,3-thiazolidin-4-one

InChI: InChI=1S/C13H12Br2N2O3S/c1-16-13-17(2)12(19)8(21-13)5-6-4-7(20-3)11(18)10(15)9(6)14/h4-5,18H,1-3H3/b8-5-,16-13+

Composition: C (35.80%), H (2.77%), Br (36.64%), N (6.42%), O (11.01%), S (7.35%)

Molar Mass: 436.12

Atom Count: 33

Heavy Atom Count: 21

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 0
Exact Mass 433.893539
Formal Charge 0
FSP3 0.23
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 1
InChIKey WOJYCUUESAWVSN-LWMKNSOKSA-N
Lipinski's Rule of Five 1
Molar Refractivity 91.76
Topological Polar Surface Area 62.13
Polarizability 34.47
Ring Count 2
Rotatable Bond Count 2

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C13H12Br2N2O3S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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