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(5Z)-5-{[4-(naphthalen-1-ylmethoxy)phenyl]methylidene}-3-(pyridin-3-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one

(5Z)-5-{[4-(naphthalen-1-ylmethoxy)phenyl]methylidene}-3-(pyridin-3-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one

Formula: C27H20N2O2S2

SMILES: O=C1N(CC2=CC=CN=C2)C(=S)SC1=C/C1=CC=C(OCC2=CC=CC3=CC=CC=C23)C=C1

IUPAC: (5Z)-5-({4-[(naphthalen-1-yl)methoxy]phenyl}methylidene)-3-[(pyridin-3-yl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one

InChI: InChI=1S/C27H20N2O2S2/c30-26-25(33-27(32)29(26)17-20-5-4-14-28-16-20)15-19-10-12-23(13-11-19)31-18-22-8-3-7-21-6-1-2-9-24(21)22/h1-16H,17-18H2/b25-15-

Composition: C (69.21%), H (4.30%), N (5.98%), O (6.83%), S (13.68%)

Molar Mass: 468.59

Atom Count: 53

Heavy Atom Count: 33

Properties
Properties
Common Names N/A
Aromatic Ring Count 4
Asymmetric Atom Count 0
Exact Mass 468.09662024
Formal Charge 0
FSP3 0.07
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 0
InChIKey XQSVKGINSKWKEL-MYYYXRDXSA-N
Lipinski's Rule of Five
Molar Refractivity 139.09
Topological Polar Surface Area 42.43
Polarizability 54.7
Ring Count 5
Rotatable Bond Count 6

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Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C27H20N2O2S2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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