2-(Methylthio)pyrazolo[1,5-a][1,3,5]triazin-4(3H)-one


Chemical Name: 2-(Methylthio)pyrazolo[1,5-a][1,3,5]triazin-4(3H)-one
CAS Number: 54346-18-8
Product Number: AG00D805(AGN-PC-0WA5CM)
Synonyms:
MDL No:
Molecular Formula: C6H6N4OS
Molecular Weight: 182.2030

Identification/Properties


Properties
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
182.201g/mol
XLogP3:
0.7
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
182.026g/mol
Monoisotopic Mass:
182.026g/mol
Topological Polar Surface Area:
84.6A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
242
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

Safety Information


NMR Spectrum


Other Analytical Data


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