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Home > Quinoline > 918518-95-3
918518-95-3 | Quinoline, 6-methyl-2-(methylthio)-3-(phenylmethyl)-
CAS No: 918518-95-3 Catalog No: AG006DNR MDL No:
Product Description
Catalog Number:
AG006DNR
Chemical Name:
Quinoline, 6-methyl-2-(methylthio)-3-(phenylmethyl)-
CAS Number:
918518-95-3
Molecular Formula:
C18H17NS
Molecular Weight:
279.3993
IUPAC Name:
3-benzyl-6-methyl-2-methylsulfanylquinoline
InChI:
InChI=1S/C18H17NS/c1-13-8-9-17-15(10-13)12-16(18(19-17)20-2)11-14-6-4-3-5-7-14/h3-10,12H,11H2,1-2H3
InChI Key:
DTJNXVIXUOEYIF-UHFFFAOYSA-N
SMILES:
CSc1nc2ccc(cc2cc1Cc1ccccc1)C
Properties
Complexity:
300
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
279.108g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
279.401g/mol
Monoisotopic Mass:
279.108g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
38.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
5.3
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