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83834-56-4 | 8-Quinolinecarbodithioic acid
CAS No: 83834-56-4 Catalog No: AG0054TM MDL No:
Product Description
Catalog Number:
AG0054TM
Chemical Name:
8-Quinolinecarbodithioic acid
CAS Number:
83834-56-4
Molecular Formula:
C10H7NS2
Molecular Weight:
205.2993
IUPAC Name:
quinoline-8-carbodithioic acid
InChI:
InChI=1S/C10H7NS2/c12-10(13)8-5-1-3-7-4-2-6-11-9(7)8/h1-6H,(H,12,13)
InChI Key:
DWFGCTCWYKVIHS-UHFFFAOYSA-N
SMILES:
SC(=S)c1cccc2c1nccc2
Properties
Complexity:
205
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
205.002g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
205.293g/mol
Monoisotopic Mass:
205.002g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
46A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.4
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