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3-[(E)-[(3,4-dimethoxyphenyl)methylidene]amino]-1-(3-methylphenyl)thiourea

3-[(E)-[(3,4-dimethoxyphenyl)methylidene]amino]-1-(3-methylphenyl)thiourea

Formula: C17H19N3O2S

SMILES: COC1=CC=C(C=NNC(=S)NC2=CC=CC(C)=C2)C=C1OC

IUPAC: 3-[(E)-[(3,4-dimethoxyphenyl)methylidene]amino]-1-(3-methylphenyl)thiourea

InChI: InChI=1S/C17H19N3O2S/c1-12-5-4-6-14(9-12)19-17(23)20-18-11-13-7-8-15(21-2)16(10-13)22-3/h4-11H,1-3H3,(H2,19,20,23)/b18-11+

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 PJYSCNIRGUVFFF-WOJGMQOQSA-N
Lipinski's Rule of Five 1
Molar Refractivity 98.66
Topological Polar Surface Area 54.88
Polarizability 36.83
Ring Count 2
Rotatable Bond Count 5

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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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