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119022-76-3 | 3,5-Pyridinedicarbonitrile, 6-amino-1,2-dihydro-4-phenyl-2-thioxo-
CAS No: 119022-76-3 Catalog No: AG000P2O MDL No:
Product Description
Catalog Number:
AG000P2O
Chemical Name:
3,5-Pyridinedicarbonitrile, 6-amino-1,2-dihydro-4-phenyl-2-thioxo-
CAS Number:
119022-76-3
Molecular Formula:
C13H8N4S
Molecular Weight:
252.2944
IUPAC Name:
2-amino-4-phenyl-6-sulfanylidene-1H-pyridine-3,5-dicarbonitrile
InChI:
InChI=1S/C13H8N4S/c14-6-9-11(8-4-2-1-3-5-8)10(7-15)13(18)17-12(9)16/h1-5H,(H3,16,17,18)
InChI Key:
KTPFGSXXUDJFFQ-UHFFFAOYSA-N
SMILES:
N#Cc1c(N)[nH]c(=S)c(c1c1ccccc1)C#N
NSC Number:
678060
Properties
Complexity:
546
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
252.047g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
252.295g/mol
Monoisotopic Mass:
252.047g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
118A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4
Literature
| Title | Journal |
|---|---|
| Multipotent drugs with cholinergic and neuroprotective properties for the treatment of Alzheimer and neuronal vascular diseases. I. Synthesis, biological assessment, and molecular modeling of simple and readily available 2-aminopyridine-, and 2-chloropyridine-3,5-dicarbonitriles. | Bioorganic & medicinal chemistry 20100815 |
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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