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(5E)-5-({3,5-dibromo-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}methylidene)-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-4-one

(5E)-5-({3,5-dibromo-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}methylidene)-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-4-one

Formula: C20H11Br2F3N2O4S2

SMILES: [O-][N+](=O)C1=CC(=CC=C1OC1=C(Br)C=C(C=C2SC(=S)N(CC=C)C2=O)C=C1Br)C(F)(F)F

IUPAC: (5E)-5-({3,5-dibromo-4-[2-nitro-4-(trifluoromethyl)phenoxy]phenyl}methylidene)-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-4-one

InChI: InChI=1S/C20H11Br2F3N2O4S2/c1-2-5-26-18(28)16(33-19(26)32)8-10-6-12(21)17(13(22)7-10)31-15-4-3-11(20(23,24)25)9-14(15)27(29)30/h2-4,6-9H,1,5H2/b16-8+

Composition: C (38.48%), H (1.78%), Br (25.60%), F (9.13%), N (4.49%), O (10.25%), S (10.27%)

Molar Mass: 624.24

Atom Count: 44

Heavy Atom Count: 33

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 621.84791
Formal Charge 0
FSP3 0.1
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey ZUAXGFCSWBLLHJ-LZYBPNLTSA-N
Lipinski's Rule of Five
Molar Refractivity 132.05
Topological Polar Surface Area 72.68
Polarizability 49.03
Ring Count 3
Rotatable Bond Count 7

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C20H11Br2F3N2O4S2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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