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1-[(E)-[(3-{2-[(4-chlorophenyl)sulfanyl]ethoxy}phenyl)methylidene]amino]-3-methylthiourea

1-[(E)-[(3-{2-[(4-chlorophenyl)sulfanyl]ethoxy}phenyl)methylidene]amino]-3-methylthiourea

Formula: C17H18ClN3OS2

SMILES: CNC(=S)NN=CC1=CC=CC(OCCSC2=CC=C(Cl)C=C2)=C1

IUPAC: 1-[(E)-[(3-{2-[(4-chlorophenyl)sulfanyl]ethoxy}phenyl)methylidene]amino]-3-methylthiourea

InChI: InChI=1S/C17H18ClN3OS2/c1-19-17(23)21-20-12-13-3-2-4-15(11-13)22-9-10-24-16-7-5-14(18)6-8-16/h2-8,11-12H,9-10H2,1H3,(H2,19,21,23)/b20-12+

Composition: C (53.74%), H (4.78%), Cl (9.33%), N (11.06%), O (4.21%), S (16.88%)

Molar Mass: 379.92

Atom Count: 42

Heavy Atom Count: 24

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 379.0579823
Formal Charge 0
FSP3 0.18
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 2
InChIKey DWLJYPSZTWPALS-UDWIEESQSA-N
Lipinski's Rule of Five 1
Molar Refractivity 107.45
Topological Polar Surface Area 45.65
Polarizability 41.14
Ring Count 2
Rotatable Bond Count 7

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C17H18ClN3OS2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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