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Home > Pyridines > 1706459-51-9
1706459-51-9 | 2-(methylsulfanyl)pyridine-3,5-dicarbonitrile
CAS No: 1706459-51-9 Catalog No: AG01CA6Y MDL No:MFCD29051071
Product Description
Catalog Number:
AG01CA6Y
Chemical Name:
2-(methylsulfanyl)pyridine-3,5-dicarbonitrile
CAS Number:
1706459-51-9
Molecular Formula:
C8H5N3S
Molecular Weight:
175.2104
MDL Number:
MFCD29051071
IUPAC Name:
2-methylsulfanylpyridine-3,5-dicarbonitrile
InChI:
InChI=1S/C8H5N3S/c1-12-8-7(4-10)2-6(3-9)5-11-8/h2,5H,1H3
InChI Key:
UITCFDHZBSVUOM-UHFFFAOYSA-N
SMILES:
N#Cc1cc(C#N)cnc1SC
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.02g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
175.209g/mol
Monoisotopic Mass:
175.02g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
85.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1
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