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13896-84-9 | Quinoline, 2-[(2,2-diethoxyethyl)thio]-4-methyl-
CAS No: 13896-84-9 Catalog No: AG0019XM MDL No:
Product Description
Catalog Number:
AG0019XM
Chemical Name:
Quinoline, 2-[(2,2-diethoxyethyl)thio]-4-methyl-
CAS Number:
13896-84-9
Molecular Formula:
C16H21NO2S
Molecular Weight:
291.4084
IUPAC Name:
2-(2,2-diethoxyethylsulfanyl)-4-methylquinoline
InChI:
InChI=1S/C16H21NO2S/c1-4-18-16(19-5-2)11-20-15-10-12(3)13-8-6-7-9-14(13)17-15/h6-10,16H,4-5,11H2,1-3H3
InChI Key:
XGWNFLZWEKDQFK-UHFFFAOYSA-N
SMILES:
CCOC(CSc1cc(C)c2c(n1)cccc2)OCC
NSC Number:
98888
Properties
Complexity:
271
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
291.129g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
291.409g/mol
Monoisotopic Mass:
291.129g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
56.6A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4
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