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2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)disulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile

2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)disulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile

Formula: C20H18N4S2

SMILES: N#CC1=CC2=C(CCCC2)N=C1SSC1=NC2=C(CCCC2)C=C1C#N

IUPAC: 2-[(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)disulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile

InChI: InChI=1S/C20H18N4S2/c21-11-15-9-13-5-1-3-7-17(13)23-19(15)25-26-20-16(12-22)10-14-6-2-4-8-18(14)24-20/h9-10H,1-8H2

Composition: C (63.46%), H (4.79%), N (14.80%), S (16.94%)

Molar Mass: 378.51

Atom Count: 44

Heavy Atom Count: 26

Properties
Properties
Common Names N/A
Aromatic Ring Count 2
Asymmetric Atom Count 0
Exact Mass 378.097288944
Formal Charge 0
FSP3 0.4
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 4
Hydrogen Bond Donor Count 0
InChIKey QDADGQCNMCKVND-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity 104.33
Topological Polar Surface Area 73.36
Polarizability 40.91
Ring Count 4
Rotatable Bond Count 3

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Purity LeadTime Formula PacketSize UnitPrice
90% <16 Days C20H18N4S2 $33.80-$156.00$33.80$52.00$67.60$93.60$156.00
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