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Home > Pyridines > 339276-61-8
339276-61-8 | 2-{[(2E)-3-cyanoprop-2-en-1-yl]sulfanyl}-4,6-dimethylpyridine-3-carbonitrile
CAS No: 339276-61-8 Catalog No: AG00IY6M MDL No:MFCD00975563
Product Description
Catalog Number:
AG00IY6M
Chemical Name:
2-{[(2E)-3-cyanoprop-2-en-1-yl]sulfanyl}-4,6-dimethylpyridine-3-carbonitrile
CAS Number:
339276-61-8
Molecular Formula:
C12H11N3S
Molecular Weight:
229.3008
MDL Number:
MFCD00975563
IUPAC Name:
2-(3-cyanoprop-2-enylsulfanyl)-4,6-dimethylpyridine-3-carbonitrile
InChI:
InChI=1S/C12H11N3S/c1-9-7-10(2)15-12(11(9)8-14)16-6-4-3-5-13/h3-4,7H,6H2,1-2H3
InChI Key:
IIXGUGRSXRLTDN-UHFFFAOYSA-N
SMILES:
N#C/C=C/CSc1nc(C)cc(c1C#N)C
Properties
Complexity:
346
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
229.067g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
229.301g/mol
Monoisotopic Mass:
229.067g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
85.8A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
1
XLogP3:
2.2
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