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Home > Pyridines > 337922-63-1
337922-63-1 | 5-acetyl-2-(benzylsulfanyl)-6-methylpyridine-3-carbonitrile
CAS No: 337922-63-1 Catalog No: AG00IN0Y MDL No:MFCD00793164
Product Description
Catalog Number:
AG00IN0Y
Chemical Name:
5-acetyl-2-(benzylsulfanyl)-6-methylpyridine-3-carbonitrile
CAS Number:
337922-63-1
Molecular Formula:
C16H14N2OS
Molecular Weight:
282.3602
MDL Number:
MFCD00793164
IUPAC Name:
5-acetyl-2-benzylsulfanyl-6-methylpyridine-3-carbonitrile
InChI:
InChI=1S/C16H14N2OS/c1-11-15(12(2)19)8-14(9-17)16(18-11)20-10-13-6-4-3-5-7-13/h3-8H,10H2,1-2H3
InChI Key:
FDMKMPPVHACAIP-UHFFFAOYSA-N
SMILES:
N#Cc1cc(C(=O)C)c(nc1SCc1ccccc1)C
Properties
Complexity:
383
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
282.083g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
282.361g/mol
Monoisotopic Mass:
282.083g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
79A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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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