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15759-12-3 | 8-Quinolinethiol, 2-phenyl-
CAS No: 15759-12-3 Catalog No: AG001PJA MDL No:
Product Description
Catalog Number:
AG001PJA
Chemical Name:
8-Quinolinethiol, 2-phenyl-
CAS Number:
15759-12-3
Molecular Formula:
C15H11NS
Molecular Weight:
237.3195
IUPAC Name:
2-phenylquinoline-8-thiol
InChI:
InChI=1S/C15H11NS/c17-14-8-4-7-12-9-10-13(16-15(12)14)11-5-2-1-3-6-11/h1-10,17H
InChI Key:
JFEMPPJKKBHYRI-UHFFFAOYSA-N
SMILES:
Sc1cccc2c1nc(cc2)c1ccccc1
Properties
Complexity:
249
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
237.061g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
237.32g/mol
Monoisotopic Mass:
237.061g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
13.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.1
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