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(5Z)-5-({2-[3-(4-chlorophenoxy)propoxy]-5-nitrophenyl}methylidene)-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one

(5Z)-5-({2-[3-(4-chlorophenoxy)propoxy]-5-nitrophenyl}methylidene)-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one

Formula: C20H17ClN2O5S2

SMILES: CN1C(=S)SC(=C/C2=CC(=CC=C2OCCCOC2=CC=C(Cl)C=C2)[N+]([O-])=O)C1=O

IUPAC: (5Z)-5-({2-[3-(4-chlorophenoxy)propoxy]-5-nitrophenyl}methylidene)-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one

InChI: InChI=1S/C20H17ClN2O5S2/c1-22-19(24)18(30-20(22)29)12-13-11-15(23(25)26)5-8-17(13)28-10-2-9-27-16-6-3-14(21)4-7-16/h3-8,11-12H,2,9-10H2,1H3/b18-12-

Composition: C (51.67%), H (3.69%), Cl (7.62%), N (6.03%), O (17.21%), S (13.79%)

Molar Mass: 464.94

Atom Count: 47

Heavy Atom Count: 30

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 464.0267417
Formal Charge 0
FSP3 0.2
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 5
Hydrogen Bond Donor Count 0
InChIKey ZEWILKWLEOTJHV-PDGQHHTCSA-N
Lipinski's Rule of Five
Molar Refractivity 122.11
Topological Polar Surface Area 81.91
Polarizability 46.55
Ring Count 3
Rotatable Bond Count 8

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C20H17ClN2O5S2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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