[1,2,4]Triazolo[4,3-a]quinoline-1(2H)-thione, 5-methyl-


Chemical Name: [1,2,4]Triazolo[4,3-a]quinoline-1(2H)-thione, 5-methyl-
CAS Number: 35359-27-4
Product Number: AG00CJUH(AGN-PC-0JV4YT)
Synonyms:
MDL No:
Molecular Formula: C11H9N3S
Molecular Weight: 215.2743

Identification/Properties


Computed Properties
Molecular Weight:
215.274g/mol
XLogP3:
1.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
2
Rotatable Bond Count:
0
Exact Mass:
215.052g/mol
Monoisotopic Mass:
215.052g/mol
Topological Polar Surface Area:
59.7A^2
Heavy Atom Count:
15
Formal Charge:
0
Complexity:
372
Isotope Atom Count:
0
Defined Atom Stereocenter Count:
0
Undefined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
Covalently-Bonded Unit Count:
1
Compound Is Canonicalized:
Yes

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NMR Spectrum


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