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15759-13-4 | Quinoline, 8-(methylthio)-2-phenyl-
CAS No: 15759-13-4 Catalog No: AG001PJ9 MDL No:
Product Description
Catalog Number:
AG001PJ9
Chemical Name:
Quinoline, 8-(methylthio)-2-phenyl-
CAS Number:
15759-13-4
Molecular Formula:
C16H13NS
Molecular Weight:
251.3461
IUPAC Name:
8-methylsulfanyl-2-phenylquinoline
InChI:
InChI=1S/C16H13NS/c1-18-15-9-5-8-13-10-11-14(17-16(13)15)12-6-3-2-4-7-12/h2-11H,1H3
InChI Key:
OTFDNDOKUZPFGN-UHFFFAOYSA-N
SMILES:
CSc1cccc2c1nc(cc2)c1ccccc1
Properties
Complexity:
262
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
251.077g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
251.347g/mol
Monoisotopic Mass:
251.077g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
38.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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