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(5Z)-5-({3-chloro-4-[2-(2,6-dimethylphenoxy)ethoxy]phenyl}methylidene)-3-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one

(5Z)-5-({3-chloro-4-[2-(2,6-dimethylphenoxy)ethoxy]phenyl}methylidene)-3-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one

Formula: C25H22ClNO4S2

SMILES: CC1=CC=CC(C)=C1OCCOC1=CC=C(C=C2/SC(=S)N(CC3=CC=CO3)C2=O)C=C1Cl

IUPAC: (5Z)-5-({3-chloro-4-[2-(2,6-dimethylphenoxy)ethoxy]phenyl}methylidene)-3-[(furan-2-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one

InChI: InChI=1S/C25H22ClNO4S2/c1-16-5-3-6-17(2)23(16)31-12-11-30-21-9-8-18(13-20(21)26)14-22-24(28)27(25(32)33-22)15-19-7-4-10-29-19/h3-10,13-14H,11-12,15H2,1-2H3/b22-14-

Composition: C (60.05%), H (4.43%), Cl (7.09%), N (2.80%), O (12.80%), S (12.82%)

Molar Mass: 500.02

Atom Count: 55

Heavy Atom Count: 33

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 499.0678782
Formal Charge 0
FSP3 0.2
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey ATZNOYUXKDNGPN-HMAPJEAMSA-N
Lipinski's Rule of Five
Molar Refractivity 138.01
Topological Polar Surface Area 51.91
Polarizability 52.82
Ring Count 4
Rotatable Bond Count 8

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C25H22ClNO4S2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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