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116249-87-7 | 2-(Benzylthio)quinoline
CAS No: 116249-87-7 Catalog No: AG01EN6O MDL No:
Product Description
Catalog Number:
AG01EN6O
Chemical Name:
2-(Benzylthio)quinoline
CAS Number:
116249-87-7
IUPAC Name:
2-benzylsulfanylquinoline
InChI:
InChI=1S/C16H13NS/c1-2-6-13(7-3-1)12-18-16-11-10-14-8-4-5-9-15(14)17-16/h1-11H,12H2
InChI Key:
SVGSEZUHJSTFHU-UHFFFAOYSA-N
Properties
Complexity:
250
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:
3
Topological Polar Surface Area:
38.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.5
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