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(5Z)-3-benzyl-5-[(2-{2-[(4-chlorophenyl)sulfanyl]ethoxy}-5-methylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

(5Z)-3-benzyl-5-[(2-{2-[(4-chlorophenyl)sulfanyl]ethoxy}-5-methylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Formula: C26H22ClNO2S3

SMILES: CC1=CC=C(OCCSC2=CC=C(Cl)C=C2)C(C=C2/SC(=S)N(CC3=CC=CC=C3)C2=O)=C1

IUPAC: (5Z)-3-benzyl-5-[(2-{2-[(4-chlorophenyl)sulfanyl]ethoxy}-5-methylphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

InChI: InChI=1S/C26H22ClNO2S3/c1-18-7-12-23(30-13-14-32-22-10-8-21(27)9-11-22)20(15-18)16-24-25(29)28(26(31)33-24)17-19-5-3-2-4-6-19/h2-12,15-16H,13-14,17H2,1H3/b24-16-

Composition: C (60.98%), H (4.33%), Cl (6.92%), N (2.74%), O (6.25%), S (18.78%)

Molar Mass: 512.1

Atom Count: 55

Heavy Atom Count: 33

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 511.0501202
Formal Charge 0
FSP3 0.15
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey ZZCRMKUVEIVGJX-JLPGSUDCSA-N
Lipinski's Rule of Five
Molar Refractivity 147.08
Topological Polar Surface Area 29.54
Polarizability 56.54
Ring Count 4
Rotatable Bond Count 8

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C26H22ClNO2S3 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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