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Home Nitriles 4,6-Dimethyl-2-thioxo-1,2-dihydropyridine-3-carbonitrile

4,6-Dimethyl-2-thioxo-1,2-dihydropyridine-3-carbonitrile

CAS No.:
54585-47-6
Catalog Number:
AG003JBY
Molecular Formula:
C8H8N2S
Molecular Weight:
164.2275
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
In Stock USA
United States
$146
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Product Description
Catalog Number:
AG003JBY
Chemical Name:
4,6-Dimethyl-2-thioxo-1,2-dihydropyridine-3-carbonitrile
CAS Number:
54585-47-6
Molecular Formula:
C8H8N2S
Molecular Weight:
164.2275
MDL Number:
MFCD00051684
IUPAC Name:
4,6-dimethyl-2-sulfanylidene-1H-pyridine-3-carbonitrile
InChI:
InChI=1S/C8H8N2S/c1-5-3-6(2)10-8(11)7(5)4-9/h3H,1-2H3,(H,10,11)
InChI Key:
CZRHEROEPICLRO-UHFFFAOYSA-N
SMILES:
Cc1cc(C)[nH]c(=S)c1C#N
Properties
Complexity:
314  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
164.041g/mol
Formal Charge:
0
Heavy Atom Count:
11  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
164.226g/mol
Monoisotopic Mass:
164.041g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
67.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1  
Literature
Title Journal
Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis. Bioorganic & medicinal chemistry letters 20101101
An allosteric potentiator of M4 mAChR modulates hippocampal synaptic transmission. Nature chemical biology 20080101
Properties