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76076-35-2 | 3-Quinolinethiol
CAS No: 76076-35-2 Catalog No: AG005G7O MDL No:MFCD11656392
Product Description
Catalog Number:
AG005G7O
Chemical Name:
3-Quinolinethiol
CAS Number:
76076-35-2
Molecular Formula:
C9H7NS
Molecular Weight:
161.2236
MDL Number:
MFCD11656392
IUPAC Name:
quinoline-3-thiol
InChI:
InChI=1S/C9H7NS/c11-8-5-7-3-1-2-4-9(7)10-6-8/h1-6,11H
InChI Key:
ZPKXXXUAUKOZJA-UHFFFAOYSA-N
SMILES:
Sc1cnc2c(c1)cccc2
Properties
Complexity:
138
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
161.03g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
161.222g/mol
Monoisotopic Mass:
161.03g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
13.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.7
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