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Home Nitriles 2-(Methylthio)isonicotinonitrile

2-(Methylthio)isonicotinonitrile

CAS No.:
180790-90-3
Catalog Number:
AG00AD47
Molecular Formula:
C7H6N2S
Molecular Weight:
150.2009
Pack Size
Purity
Availability
Location
Price(USD)
Quantity
  
1g
95%
In Stock USA
United States
$96
- +
5g
95%
In Stock USA
United States
$216
- +
Product Description
Catalog Number:
AG00AD47
Chemical Name:
2-(Methylthio)isonicotinonitrile
CAS Number:
180790-90-3
Molecular Formula:
C7H6N2S
Molecular Weight:
150.2009
MDL Number:
MFCD12198460
IUPAC Name:
2-methylsulfanylpyridine-4-carbonitrile
InChI:
InChI=1S/C7H6N2S/c1-10-7-4-6(5-8)2-3-9-7/h2-4H,1H3
InChI Key:
KHIMMMAZSQUTMF-UHFFFAOYSA-N
SMILES:
CSc1nccc(c1)C#N
Properties
Complexity:
149  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
150.025g/mol
Formal Charge:
0
Heavy Atom Count:
10  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
150.199g/mol
Monoisotopic Mass:
150.025g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
62A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.4  
Literature
Title Journal
[Reaction of pyridinium and quinolinium salts having the leaving group at the 2- or 4-position with active methylene compounds]. Yakugaku zasshi : Journal of the Pharmaceutical Society of Japan 20060201
Properties