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(5Z)-3-benzyl-5-({2-[3-(3,5-dimethylphenoxy)propoxy]phenyl}methylidene)-2-sulfanylidene-1,3-thiazolidin-4-one

(5Z)-3-benzyl-5-({2-[3-(3,5-dimethylphenoxy)propoxy]phenyl}methylidene)-2-sulfanylidene-1,3-thiazolidin-4-one

Formula: C28H27NO3S2

SMILES: CC1=CC(OCCCOC2=CC=CC=C2C=C2/SC(=S)N(CC3=CC=CC=C3)C2=O)=CC(C)=C1

IUPAC: (5Z)-3-benzyl-5-({2-[3-(3,5-dimethylphenoxy)propoxy]phenyl}methylidene)-2-sulfanylidene-1,3-thiazolidin-4-one

InChI: InChI=1S/C28H27NO3S2/c1-20-15-21(2)17-24(16-20)31-13-8-14-32-25-12-7-6-11-23(25)18-26-27(30)29(28(33)34-26)19-22-9-4-3-5-10-22/h3-7,9-12,15-18H,8,13-14,19H2,1-2H3/b26-18-

Composition: C (68.68%), H (5.56%), N (2.86%), O (9.80%), S (13.10%)

Molar Mass: 489.65

Atom Count: 61

Heavy Atom Count: 34

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 489.143236081
Formal Charge 0
FSP3 0.21
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey GSPXJRGRKNCVGN-ITYLOYPMSA-N
Lipinski's Rule of Five
Molar Refractivity 145.68
Topological Polar Surface Area 38.77
Polarizability 55.94
Ring Count 4
Rotatable Bond Count 9

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C28H27NO3S2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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