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Home > Quinoline > 338966-55-5
338966-55-5 | 2-phenyl-8-sulfanyl-1,4-dihydroquinolin-4-one
CAS No: 338966-55-5 Catalog No: AG00IUUK MDL No:MFCD00664138
Product Description
Catalog Number:
AG00IUUK
Chemical Name:
2-phenyl-8-sulfanyl-1,4-dihydroquinolin-4-one
CAS Number:
338966-55-5
Molecular Formula:
C15H11NOS
Molecular Weight:
253.3189
MDL Number:
MFCD00664138
IUPAC Name:
2-phenyl-8-sulfanyl-1H-quinolin-4-one
InChI:
InChI=1S/C15H11NOS/c17-13-9-12(10-5-2-1-3-6-10)16-15-11(13)7-4-8-14(15)18/h1-9,18H,(H,16,17)
InChI Key:
RBUQLDTVPBGGCE-UHFFFAOYSA-N
SMILES:
O=c1cc([nH]c2c1cccc2S)c1ccccc1
NSC Number:
658841
Properties
Complexity:
360
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
253.056g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
253.319g/mol
Monoisotopic Mass:
253.056g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
30.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
Literature
| Title | Journal |
|---|---|
| Antitumor agents. 166. Synthesis and biological evaluation of 5,6,7,8-substituted-2-phenylthiochromen-4-ones. | Journal of medicinal chemistry 19960510 |
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