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73113-06-1 | 8-Quinolinol, 2-methyl-5-(propylthio)-
CAS No: 73113-06-1 Catalog No: AG005Y54 MDL No:
Product Description
Catalog Number:
AG005Y54
Chemical Name:
8-Quinolinol, 2-methyl-5-(propylthio)-
CAS Number:
73113-06-1
Molecular Formula:
C13H15NOS
Molecular Weight:
233.3293
IUPAC Name:
2-methyl-5-propylsulfanylquinolin-8-ol
InChI:
InChI=1S/C13H15NOS/c1-3-8-16-12-7-6-11(15)13-10(12)5-4-9(2)14-13/h4-7,15H,3,8H2,1-2H3
InChI Key:
ZDBDBDWQEXCUSW-UHFFFAOYSA-N
SMILES:
CCCSc1ccc(c2c1ccc(n2)C)O
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.087g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.329g/mol
Monoisotopic Mass:
233.087g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
58.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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