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100549-76-6 | 8-Quinolinethiol, 5-(phenylthio)-
CAS No: 100549-76-6 Catalog No: AG0002B6 MDL No:
Product Description
Catalog Number:
AG0002B6
Chemical Name:
8-Quinolinethiol, 5-(phenylthio)-
CAS Number:
100549-76-6
Molecular Formula:
C15H11NS2
Molecular Weight:
269.3845
IUPAC Name:
5-phenylsulfanylquinoline-8-thiol
InChI:
InChI=1S/C15H11NS2/c17-13-8-9-14(12-7-4-10-16-15(12)13)18-11-5-2-1-3-6-11/h1-10,17H
InChI Key:
JNBYBOMAZXKOKB-UHFFFAOYSA-N
SMILES:
Sc1ccc(c2c1nccc2)Sc1ccccc1
Properties
Complexity:
265
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
269.033g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
269.38g/mol
Monoisotopic Mass:
269.033g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
39.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.4
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