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Home > Pyridines > 303146-27-2
303146-27-2 | 5-acetyl-6-methyl-2-(propylsulfanyl)pyridine-3-carbonitrile
CAS No: 303146-27-2 Catalog No: AG00INJG MDL No:MFCD00793173
Product Description
Catalog Number:
AG00INJG
Chemical Name:
5-acetyl-6-methyl-2-(propylsulfanyl)pyridine-3-carbonitrile
CAS Number:
303146-27-2
Molecular Formula:
C12H14N2OS
Molecular Weight:
234.3174
MDL Number:
MFCD00793173
IUPAC Name:
5-acetyl-6-methyl-2-propylsulfanylpyridine-3-carbonitrile
InChI:
InChI=1S/C12H14N2OS/c1-4-5-16-12-10(7-13)6-11(9(3)15)8(2)14-12/h6H,4-5H2,1-3H3
InChI Key:
DSGTWNCLXNZODP-UHFFFAOYSA-N
SMILES:
CCCSc1nc(C)c(cc1C#N)C(=O)C
Properties
Complexity:
297
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
234.083g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
234.317g/mol
Monoisotopic Mass:
234.083g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
79A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
Literature
| Title | Journal |
|---|---|
| Microsphere-based protease assays and screening application for lethal factor and factor Xa. | Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501 |
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