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93203-27-1 | 8-Quinolinol, 5-[[(1-phenyl-1H-tetrazol-5-yl)thio]methyl]-
CAS No: 93203-27-1 Catalog No: AG006I13 MDL No:
Product Description
Catalog Number:
AG006I13
Chemical Name:
8-Quinolinol, 5-[[(1-phenyl-1H-tetrazol-5-yl)thio]methyl]-
CAS Number:
93203-27-1
Molecular Formula:
C17H13N5OS
Molecular Weight:
335.3830
IUPAC Name:
5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]quinolin-8-ol
InChI:
InChI=1S/C17H13N5OS/c23-15-9-8-12(14-7-4-10-18-16(14)15)11-24-17-19-20-21-22(17)13-5-2-1-3-6-13/h1-10,23H,11H2
InChI Key:
WLAHLEKKJBPOHT-UHFFFAOYSA-N
SMILES:
Oc1ccc(c2c1nccc2)CSc1nnnn1c1ccccc1
Properties
Complexity:
408
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
335.084g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
335.385g/mol
Monoisotopic Mass:
335.084g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
102A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.5
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