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5-[(4-chlorophenyl)methylidene]-3-(pyridin-3-ylmethyl)-2-sulfanylideneimidazolidin-4-one

5-[(4-chlorophenyl)methylidene]-3-(pyridin-3-ylmethyl)-2-sulfanylideneimidazolidin-4-one

CAS: 320422-90-0

Formula: C16H12ClN3OS

SMILES: ClC1=CC=C(C=C2NC(=S)N(CC3=CN=CC=C3)C2=O)C=C1

IUPAC: 5-[(4-chlorophenyl)methylidene]-3-[(pyridin-3-yl)methyl]-2-sulfanylideneimidazolidin-4-one

InChI: InChI=1S/C16H12ClN3OS/c17-13-5-3-11(4-6-13)8-14-15(21)20(16(22)19-14)10-12-2-1-7-18-9-12/h1-9H,10H2,(H,19,22)

Composition: C (58.27%), H (3.67%), Cl (10.75%), N (12.74%), O (4.85%), S (9.72%)

Molar Mass: 329.8

Atom Count: 34

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 329.0389609
Formal Charge 0
FSP3 0.06
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey DMHLEOBWPLVOOY-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 91.88
Topological Polar Surface Area 45.23
Polarizability 34.92
Ring Count 3
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 320422-90-0 $51.35-$86.31$51.35$63.37$86.31
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