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28559-55-9 | Benzo[h]quinoline-3-carbonitrile, 1,2,5,6-tetrahydro-4-(methylthio)-2-oxo-
CAS No: 28559-55-9 Catalog No: AG002VPT MDL No:
Product Description
Catalog Number:
AG002VPT
Chemical Name:
Benzo[h]quinoline-3-carbonitrile, 1,2,5,6-tetrahydro-4-(methylthio)-2-oxo-
CAS Number:
28559-55-9
Molecular Formula:
C15H12N2OS
Molecular Weight:
268.3336
IUPAC Name:
4-methylsulfanyl-2-oxo-5,6-dihydro-1H-benzo[h]quinoline-3-carbonitrile
InChI:
InChI=1S/C15H12N2OS/c1-19-14-11-7-6-9-4-2-3-5-10(9)13(11)17-15(18)12(14)8-16/h2-5H,6-7H2,1H3,(H,17,18)
InChI Key:
GUUCCZXZHBJWHQ-UHFFFAOYSA-N
SMILES:
CSc1c2CCc3c(c2[nH]c(=O)c1C#N)cccc3
UNII:
AR9I77V8T2
NSC Number:
377369
Properties
Complexity:
538
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
268.067g/mol
Formal Charge:
0
Heavy Atom Count:
19
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
268.334g/mol
Monoisotopic Mass:
268.067g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
78.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.8
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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