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(5Z)-5-({2-[2-(4-bromophenoxy)ethoxy]phenyl}methylidene)-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one

(5Z)-5-({2-[2-(4-bromophenoxy)ethoxy]phenyl}methylidene)-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one

Formula: C19H16BrNO3S2

SMILES: CN1C(=S)SC(=C/C2=CC=CC=C2OCCOC2=CC=C(Br)C=C2)C1=O

IUPAC: (5Z)-5-({2-[2-(4-bromophenoxy)ethoxy]phenyl}methylidene)-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one

InChI: InChI=1S/C19H16BrNO3S2/c1-21-18(22)17(26-19(21)25)12-13-4-2-3-5-16(13)24-11-10-23-15-8-6-14(20)7-9-15/h2-9,12H,10-11H2,1H3/b17-12-

Composition: C (50.67%), H (3.58%), Br (17.74%), N (3.11%), O (10.66%), S (14.24%)

Molar Mass: 450.37

Atom Count: 42

Heavy Atom Count: 26

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 448.975499
Formal Charge 0
FSP3 0.16
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey BFJIPDZYXIMAHI-ATVHPVEESA-N
Lipinski's Rule of Five
Molar Refractivity 113.75
Topological Polar Surface Area 38.77
Polarizability 43.66
Ring Count 3
Rotatable Bond Count 6

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Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C19H16BrNO3S2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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