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Home > Quinoline > 871548-17-3
871548-17-3 | 5,7-Dimethoxy-4-phenylquinoline-2-thiol
CAS No: 871548-17-3 Catalog No: AG00IEE3 MDL No:MFCD07352233
Product Description
Catalog Number:
AG00IEE3
Chemical Name:
5,7-Dimethoxy-4-phenylquinoline-2-thiol
CAS Number:
871548-17-3
Molecular Formula:
C17H15NO2S
Molecular Weight:
297.3715
MDL Number:
MFCD07352233
IUPAC Name:
5,7-dimethoxy-4-phenyl-1H-quinoline-2-thione
InChI:
InChI=1S/C17H15NO2S/c1-19-12-8-14-17(15(9-12)20-2)13(10-16(21)18-14)11-6-4-3-5-7-11/h3-10H,1-2H3,(H,18,21)
InChI Key:
CZEAOFPWKBUBPK-UHFFFAOYSA-N
SMILES:
COc1cc(OC)cc2c1c(cc(n2)S)c1ccccc1
Properties
Complexity:
417
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
297.082g/mol
Formal Charge:
0
Heavy Atom Count:
21
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
297.372g/mol
Monoisotopic Mass:
297.082g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
62.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.1
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