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Home > Pyridines > 215713-41-0
215713-41-0 | 5-acetyl-6-methyl-2-(methylsulfanyl)pyridine-3-carbonitrile
CAS No: 215713-41-0 Catalog No: AG00IOQS MDL No:MFCD00793168
Product Description
Catalog Number:
AG00IOQS
Chemical Name:
5-acetyl-6-methyl-2-(methylsulfanyl)pyridine-3-carbonitrile
CAS Number:
215713-41-0
Molecular Formula:
C10H10N2OS
Molecular Weight:
206.2642
MDL Number:
MFCD00793168
IUPAC Name:
5-acetyl-6-methyl-2-methylsulfanylpyridine-3-carbonitrile
InChI:
InChI=1S/C10H10N2OS/c1-6-9(7(2)13)4-8(5-11)10(12-6)14-3/h4H,1-3H3
InChI Key:
KIMNZROETLLYGU-UHFFFAOYSA-N
SMILES:
N#Cc1cc(C(=O)C)c(nc1SC)C
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
206.051g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
206.263g/mol
Monoisotopic Mass:
206.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
79A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5
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