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(5Z)-5-[(2Z)-2-(butylimino)-2-(4-chlorophenyl)ethylidene]-4-phenyl-2-propyl-1,2,4-thiadiazolidine-3-thione

(5Z)-5-[(2Z)-2-(butylimino)-2-(4-chlorophenyl)ethylidene]-4-phenyl-2-propyl-1,2,4-thiadiazolidine-3-thione

Formula: C23H26ClN3S2

SMILES: CCCCN=C(C=C1/SN(CCC)C(=S)N1C1=CC=CC=C1)/C1=CC=C(Cl)C=C1

IUPAC: (5Z)-5-[(2Z)-2-(butylimino)-2-(4-chlorophenyl)ethylidene]-4-phenyl-2-propyl-1,2,4-thiadiazolidine-3-thione

InChI: InChI=1S/C23H26ClN3S2/c1-3-5-15-25-21(18-11-13-19(24)14-12-18)17-22-27(20-9-7-6-8-10-20)23(28)26(29-22)16-4-2/h6-14,17H,3-5,15-16H2,1-2H3/b22-17-,25-21-

Composition: C (62.21%), H (5.90%), Cl (7.98%), N (9.46%), S (14.44%)

Molar Mass: 444.05

Atom Count: 55

Heavy Atom Count: 29

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 443.1256679
Formal Charge 0
FSP3 0.3
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 1
Hydrogen Bond Donor Count 0
InChIKey WIORRTOUMOHFKB-UJFUEMKZSA-N
Lipinski's Rule of Five
Molar Refractivity 141.04
Topological Polar Surface Area 18.84
Polarizability 50.59
Ring Count 3
Rotatable Bond Count 8

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C23H26ClN3S2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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