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Home > Quinoline > 113942-61-3
113942-61-3 | Quinoline, 2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]thio]-
CAS No: 113942-61-3 Catalog No: AG000A4E MDL No:
Product Description
Catalog Number:
AG000A4E
Chemical Name:
Quinoline, 2-[[(4-methoxy-3,5-dimethyl-2-pyridinyl)methyl]thio]-
CAS Number:
113942-61-3
Molecular Formula:
C18H18N2OS
Molecular Weight:
310.4133
IUPAC Name:
2-[(4-methoxy-3,5-dimethylpyridin-2-yl)methylsulfanyl]quinoline
InChI:
InChI=1S/C18H18N2OS/c1-12-10-19-16(13(2)18(12)21-3)11-22-17-9-8-14-6-4-5-7-15(14)20-17/h4-10H,11H2,1-3H3
InChI Key:
GURGHUOYMPDYIK-UHFFFAOYSA-N
SMILES:
COc1c(C)cnc(c1C)CSc1ccc2c(n1)cccc2
Properties
Complexity:
354
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
310.114g/mol
Formal Charge:
0
Heavy Atom Count:
22
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
310.415g/mol
Monoisotopic Mass:
310.114g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
60.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.2
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