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1-[(E)-{[4-(benzyloxy)-3-methoxyphenyl]methylidene}amino]-3-methylthiourea

1-[(E)-{[4-(benzyloxy)-3-methoxyphenyl]methylidene}amino]-3-methylthiourea

Formula: C17H19N3O2S

SMILES: CNC(=S)NN=CC1=CC=C(OCC2=CC=CC=C2)C(OC)=C1

IUPAC: 1-[(E)-{[4-(benzyloxy)-3-methoxyphenyl]methylidene}amino]-3-methylthiourea

InChI: InChI=1S/C17H19N3O2S/c1-18-17(23)20-19-11-14-8-9-15(16(10-14)21-2)22-12-13-6-4-3-5-7-13/h3-11H,12H2,1-2H3,(H2,18,20,23)/b19-11+

Composition: C (61.98%), H (5.81%), N (12.76%), O (9.71%), S (9.73%)

Molar Mass: 329.42

Atom Count: 42

Heavy Atom Count: 23

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 329.119798038
Formal Charge 0
FSP3 0.18
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 2
InChIKey DXNYJNKZSSKVKT-YBFXNURJSA-N
Lipinski's Rule of Five 1
Molar Refractivity 96.67
Topological Polar Surface Area 54.88
Polarizability 36.91
Ring Count 2
Rotatable Bond Count 6

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C17H19N3O2S $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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