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67943-66-2 | 2-(1,6-dimethylquinolin-2-yl)ethanedithioate
CAS No: 67943-66-2 Catalog No: AG00FPKW MDL No:
Product Description
Catalog Number:
AG00FPKW
Chemical Name:
2-(1,6-dimethylquinolin-2-yl)ethanedithioate
CAS Number:
67943-66-2
IUPAC Name:
2-(1,6-dimethylquinolin-1-ium-2-yl)ethanedithioate
InChI:
InChI=1S/C13H13NS2/c1-9-3-6-12-10(7-9)4-5-11(14(12)2)8-13(15)16/h3-7H,8H2,1-2H3
InChI Key:
MPQRVXCNDLDKSH-UHFFFAOYSA-N
NSC Number:
273908
Properties
Complexity:
261
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
247.049g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
247.374g/mol
Monoisotopic Mass:
247.049g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
37A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.3
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