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13896-82-7 | Ethanone, 1-phenyl-2-(2-quinolinylthio)-
CAS No: 13896-82-7 Catalog No: AG0019XO MDL No:
Product Description
Catalog Number:
AG0019XO
Chemical Name:
Ethanone, 1-phenyl-2-(2-quinolinylthio)-
CAS Number:
13896-82-7
Molecular Formula:
C17H13NOS
Molecular Weight:
279.3562
IUPAC Name:
1-phenyl-2-quinolin-2-ylsulfanylethanone
InChI:
InChI=1S/C17H13NOS/c19-16(14-7-2-1-3-8-14)12-20-17-11-10-13-6-4-5-9-15(13)18-17/h1-11H,12H2
InChI Key:
DIPYPJQXQZAPRZ-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)CSc1ccc2c(n1)cccc2
NSC Number:
98893
Properties
Complexity:
327
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.072g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.357g/mol
Monoisotopic Mass:
279.072g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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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