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3-{[(3-chlorophenyl)methyl]sulfanyl}-1-phenyl-5H,6H,7H-cyclopenta[c]pyridine-4-carbonitrile

3-{[(3-chlorophenyl)methyl]sulfanyl}-1-phenyl-5H,6H,7H-cyclopenta[c]pyridine-4-carbonitrile

CAS: 439096-38-5

Formula: C22H17ClN2S

SMILES: ClC1=CC(CSC2=NC(=C3CCCC3=C2C#N)C2=CC=CC=C2)=CC=C1

IUPAC: 3-{[(3-chlorophenyl)methyl]sulfanyl}-1-phenyl-5H,6H,7H-cyclopenta[c]pyridine-4-carbonitrile

InChI: InChI=1S/C22H17ClN2S/c23-17-9-4-6-15(12-17)14-26-22-20(13-24)18-10-5-11-19(18)21(25-22)16-7-2-1-3-8-16/h1-4,6-9,12H,5,10-11,14H2

Composition: C (70.11%), H (4.55%), Cl (9.41%), N (7.43%), S (8.51%)

Molar Mass: 376.9

Atom Count: 43

Heavy Atom Count: 26

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 376.0800974
Formal Charge 0
FSP3 0.18
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey RZYTZBMJDOQCSY-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 109.81
Topological Polar Surface Area 36.68
Polarizability 43.25
Ring Count 4
Rotatable Bond Count 4

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 439096-38-5 $51.35-$524.40$51.35$63.37$86.31$524.40
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