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57663-06-6 | 4-(methylsulfanyl)-2-oxo-6-phenyl-1,2-dihydropyridine-3-carbonitrile
CAS No: 57663-06-6 Catalog No: AG00INEH MDL No:MFCD00794410
Product Description
Catalog Number:
AG00INEH
Chemical Name:
4-(methylsulfanyl)-2-oxo-6-phenyl-1,2-dihydropyridine-3-carbonitrile
CAS Number:
57663-06-6
Molecular Formula:
C13H10N2OS
Molecular Weight:
242.2963
MDL Number:
MFCD00794410
IUPAC Name:
4-methylsulfanyl-2-oxo-6-phenyl-1H-pyridine-3-carbonitrile
InChI:
InChI=1S/C13H10N2OS/c1-17-12-7-11(9-5-3-2-4-6-9)15-13(16)10(12)8-14/h2-7H,1H3,(H,15,16)
InChI Key:
LMJDNUBVFKYAGS-UHFFFAOYSA-N
SMILES:
CSc1cc([nH]c(=O)c1C#N)c1ccccc1
Properties
Complexity:
436
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
242.051g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
242.296g/mol
Monoisotopic Mass:
242.051g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
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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