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13896-86-1 | Ethanone, 2-[(4-methyl-2-quinolinyl)thio]-1-phenyl-
CAS No: 13896-86-1 Catalog No: AG0019XK MDL No:
Product Description
Catalog Number:
AG0019XK
Chemical Name:
Ethanone, 2-[(4-methyl-2-quinolinyl)thio]-1-phenyl-
CAS Number:
13896-86-1
Molecular Formula:
C18H15NOS
Molecular Weight:
293.3828
IUPAC Name:
2-(4-methylquinolin-2-yl)sulfanyl-1-phenylethanone
InChI:
InChI=1S/C18H15NOS/c1-13-11-18(19-16-10-6-5-9-15(13)16)21-12-17(20)14-7-3-2-4-8-14/h2-11H,12H2,1H3
InChI Key:
BAELLMKYBZSECI-UHFFFAOYSA-N
SMILES:
O=C(c1ccccc1)CSc1cc(C)c2c(n1)cccc2
NSC Number:
98892
Properties
Complexity:
353
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
293.087g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
293.384g/mol
Monoisotopic Mass:
293.087g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
55.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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