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Home > Pyridines > 647011-31-2
647011-31-2 | 3-Pyridinecarbonitrile, 6-(2-methyl-1-propenyl)-2-(methylthio)-
CAS No: 647011-31-2 Catalog No: AG00H8EK MDL No:
Product Description
Catalog Number:
AG00H8EK
Chemical Name:
3-Pyridinecarbonitrile, 6-(2-methyl-1-propenyl)-2-(methylthio)-
CAS Number:
647011-31-2
Molecular Formula:
C11H12N2S
Molecular Weight:
204.2914
IUPAC Name:
6-(2-methylprop-1-enyl)-2-methylsulfanylpyridine-3-carbonitrile
InChI:
InChI=1S/C11H12N2S/c1-8(2)6-10-5-4-9(7-12)11(13-10)14-3/h4-6H,1-3H3
InChI Key:
JQSCDVRNBGEOIE-UHFFFAOYSA-N
SMILES:
CSc1nc(ccc1C#N)C=C(C)C
Properties
Complexity:
260
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.072g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.291g/mol
Monoisotopic Mass:
204.072g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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