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88144-87-0 | 8-Quinolinethiol, 1-oxide
CAS No: 88144-87-0 Catalog No: AG008C24 MDL No:
Product Description
Catalog Number:
AG008C24
Chemical Name:
8-Quinolinethiol, 1-oxide
CAS Number:
88144-87-0
Molecular Formula:
C9H7NOS
Molecular Weight:
177.2230
IUPAC Name:
1-oxidoquinolin-1-ium-8-thiol
InChI:
InChI=1S/C9H7NOS/c11-10-6-2-4-7-3-1-5-8(12)9(7)10/h1-6,12H
InChI Key:
IHEJMCWEUDFJHA-UHFFFAOYSA-N
SMILES:
[O-][n+]1cccc2c1c(S)ccc2
Properties
Complexity:
165
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
177.025g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
177.221g/mol
Monoisotopic Mass:
177.025g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
26.5A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.4
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