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(5Z)-5-{[3-chloro-5-methoxy-4-(2-phenoxyethoxy)phenyl]methylidene}-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one

(5Z)-5-{[3-chloro-5-methoxy-4-(2-phenoxyethoxy)phenyl]methylidene}-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one

Formula: C21H20ClNO4S2

SMILES: CCN1C(=S)SC(=C/C2=CC(Cl)=C(OCCOC3=CC=CC=C3)C(OC)=C2)C1=O

IUPAC: (5Z)-5-{[3-chloro-5-methoxy-4-(2-phenoxyethoxy)phenyl]methylidene}-3-ethyl-2-sulfanylidene-1,3-thiazolidin-4-one

InChI: InChI=1S/C21H20ClNO4S2/c1-3-23-20(24)18(29-21(23)28)13-14-11-16(22)19(17(12-14)25-2)27-10-9-26-15-7-5-4-6-8-15/h4-8,11-13H,3,9-10H2,1-2H3/b18-13-

Composition: C (56.06%), H (4.48%), Cl (7.88%), N (3.11%), O (14.22%), S (14.25%)

Molar Mass: 449.96

Atom Count: 49

Heavy Atom Count: 29

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 449.0522282
Formal Charge 0
FSP3 0.24
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey QLXCSWLIIPUEMX-AQTBWJFISA-N
Lipinski's Rule of Five
Molar Refractivity 122.14
Topological Polar Surface Area 48
Polarizability 47.2
Ring Count 3
Rotatable Bond Count 8

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C21H20ClNO4S2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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