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2-{[(3-chlorophenyl)methyl]sulfanyl}-6-(thiophen-2-yl)pyridine-3-carbonitrile

2-{[(3-chlorophenyl)methyl]sulfanyl}-6-(thiophen-2-yl)pyridine-3-carbonitrile

Formula: C17H11ClN2S2

SMILES: ClC1=CC(CSC2=NC(=CC=C2C#N)C2=CC=CS2)=CC=C1

IUPAC: 2-{[(3-chlorophenyl)methyl]sulfanyl}-6-(thiophen-2-yl)pyridine-3-carbonitrile

InChI: InChI=1S/C17H11ClN2S2/c18-14-4-1-3-12(9-14)11-22-17-13(10-19)6-7-15(20-17)16-5-2-8-21-16/h1-9H,11H2

Composition: C (59.55%), H (3.23%), Cl (10.34%), N (8.17%), S (18.70%)

Molar Mass: 342.86

Atom Count: 33

Heavy Atom Count: 22

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 0
Exact Mass 342.0052184
Formal Charge 0
FSP3 0.06
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey XITBXVFVWPOZNB-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 93.82
Topological Polar Surface Area 36.68
Polarizability 37.24
Ring Count 3
Rotatable Bond Count 4

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C17H11ClN2S2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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