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67686-47-9 | 1-methyl-4-(methylsulfanyl)-2-oxo-6-phenyl-1,2-dihydropyridine-3-carbonitrile
CAS No: 67686-47-9 Catalog No: AG00IP5B MDL No:MFCD00033833
Product Description
Catalog Number:
AG00IP5B
Chemical Name:
1-methyl-4-(methylsulfanyl)-2-oxo-6-phenyl-1,2-dihydropyridine-3-carbonitrile
CAS Number:
67686-47-9
Molecular Formula:
C14H12N2OS
Molecular Weight:
256.3229
MDL Number:
MFCD00033833
IUPAC Name:
1-methyl-4-methylsulfanyl-2-oxo-6-phenylpyridine-3-carbonitrile
InChI:
InChI=1S/C14H12N2OS/c1-16-12(10-6-4-3-5-7-10)8-13(18-2)11(9-15)14(16)17/h3-8H,1-2H3
InChI Key:
ZGRPVZJTZYFHHY-UHFFFAOYSA-N
SMILES:
CSc1cc(c2ccccc2)n(c(=O)c1C#N)C
Properties
Complexity:
463
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
256.067g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
256.323g/mol
Monoisotopic Mass:
256.067g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
69.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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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