Home Nitriles 3-(ethylsulfanyl)pyridine-2-carbonitrile

3-(ethylsulfanyl)pyridine-2-carbonitrile

CAS No.:
342816-54-0
Catalog Number:
AG01C72M
Molecular Formula:
C8H8N2S
Molecular Weight:
164.2275
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Product Description
Catalog Number:
AG01C72M
Chemical Name:
3-(ethylsulfanyl)pyridine-2-carbonitrile
CAS Number:
342816-54-0
Molecular Formula:
C8H8N2S
Molecular Weight:
164.2275
MDL Number:
MFCD24132526
IUPAC Name:
3-ethylsulfanylpyridine-2-carbonitrile
InChI:
InChI=1S/C8H8N2S/c1-2-11-8-4-3-5-10-7(8)6-9/h3-5H,2H2,1H3
InChI Key:
LHWIVCLPFWAWCF-UHFFFAOYSA-N
SMILES:
CCSc1cccnc1C#N
Properties
Complexity:
161  
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:
3  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
164.226g/mol
Monoisotopic Mass:
164.041g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
62A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8  
Properties