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917747-90-1 | 3-Benzyl-7-methoxy-quinoline-2-thiol
CAS No: 917747-90-1 Catalog No: AG01EZ64 MDL No:
Product Description
Catalog Number:
AG01EZ64
Chemical Name:
3-Benzyl-7-methoxy-quinoline-2-thiol
CAS Number:
917747-90-1
Molecular Formula:
C17H15NOS
Molecular Weight:
281.3721
IUPAC Name:
3-benzyl-7-methoxy-1H-quinoline-2-thione
InChI:
InChI=1S/C17H15NOS/c1-19-15-8-7-13-10-14(17(20)18-16(13)11-15)9-12-5-3-2-4-6-12/h2-8,10-11H,9H2,1H3,(H,18,20)
InChI Key:
BACPIKJTIGSCAM-UHFFFAOYSA-N
SMILES:
COc1ccc2c(c1)nc(c(c2)Cc1ccccc1)S
Properties
Complexity:
387
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
281.087g/mol
Formal Charge:
0
Heavy Atom Count:
20
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
281.373g/mol
Monoisotopic Mass:
281.087g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
53.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8
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