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3-methyl-1-[(E)-{[2-(naphthalen-1-ylmethoxy)-5-nitrophenyl]methylidene}amino]thiourea

3-methyl-1-[(E)-{[2-(naphthalen-1-ylmethoxy)-5-nitrophenyl]methylidene}amino]thiourea

Formula: C20H18N4O3S

SMILES: CNC(=S)NN=CC1=CC(=CC=C1OCC1=CC=CC2=CC=CC=C12)[N+]([O-])=O

IUPAC: 3-methyl-1-[(E)-({2-[(naphthalen-1-yl)methoxy]-5-nitrophenyl}methylidene)amino]thiourea

InChI: InChI=1S/C20H18N4O3S/c1-21-20(28)23-22-12-16-11-17(24(25)26)9-10-19(16)27-13-15-7-4-6-14-5-2-3-8-18(14)15/h2-12H,13H2,1H3,(H2,21,23,28)/b22-12+

Composition: C (60.90%), H (4.60%), N (14.20%), O (12.17%), S (8.13%)

Molar Mass: 394.45

Atom Count: 46

Heavy Atom Count: 28

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 394.10996163
Formal Charge 0
FSP3 0.1
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 2
InChIKey LZUWMNUDDIZVHD-WSDLNYQXSA-N
Lipinski's Rule of Five 1
Molar Refractivity 112.98
Topological Polar Surface Area 88.79
Polarizability 43.75
Ring Count 3
Rotatable Bond Count 6

Suppliers

Purity (%)
-
Ships Within
Days
Packet Size
Molecule Market Select
Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C20H18N4O3S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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