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N-[3-cyano-4-(methylsulfanyl)phenyl]pyridine-3-carboxamide

N-[3-cyano-4-(methylsulfanyl)phenyl]pyridine-3-carboxamide

CAS: 320421-46-3

Formula: C14H11N3OS

SMILES: CSC1=C(C=C(NC(=O)C2=CN=CC=C2)C=C1)C#N

IUPAC: N-[3-cyano-4-(methylsulfanyl)phenyl]pyridine-3-carboxamide

InChI: InChI=1S/C14H11N3OS/c1-19-13-5-4-12(7-11(13)8-15)17-14(18)10-3-2-6-16-9-10/h2-7,9H,1H3,(H,17,18)

Composition: C (62.44%), H (4.12%), N (15.60%), O (5.94%), S (11.90%)

Molar Mass: 269.32

Atom Count: 30

Heavy Atom Count: 19

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 269.06228316
Formal Charge 0
FSP3 0.07
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 3
Hydrogen Bond Donor Count 1
InChIKey ZXEGGUIJPIDACS-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 77.92
Topological Polar Surface Area 65.78
Polarizability 28.76
Ring Count 2
Rotatable Bond Count 3

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Purity LeadTime CAS PacketSize UnitPrice
90% <2 Days 320421-46-3 $51.35-$86.31$51.35$63.37$86.31
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