4H-Pyrazolo[3,4-d]pyrimidin-4-one, 1,5,6,7-tetrahydro-6-thioxo-


Chemical Name: 4H-Pyrazolo[3,4-d]pyrimidin-4-one, 1,5,6,7-tetrahydro-6-thioxo-
CAS Number: 24521-76-4
Product Number: AG002OEP(AGN-PC-0O86XG)
Synonyms:
MDL No:
Molecular Formula: C5H4N4OS
Molecular Weight: 168.1765

Identification/Properties


Properties
MP:
>360ºC (dec.)
Storage:
-10 ℃;
Form:
Solid
Computed Properties
Molecular Weight:
168.174g/mol
XLogP3:
-0.3
Hydrogen Bond Donor Count:
3
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
0
Exact Mass:
168.011g/mol
Monoisotopic Mass:
168.011g/mol
Topological Polar Surface Area:
102A^2
Heavy Atom Count:
11
Formal Charge:
0
Complexity:
219
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


GHS Pictogram:
Signal Word:
Warning
UN#:
-
Hazard Statements:
H302-H315-H319-H335
Precautionary Statements:
P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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