4(1H)-Pyrimidinone, 6-amino-2,3-dihydro-2-thioxo-, monohydrate


Chemical Name: 4(1H)-Pyrimidinone, 6-amino-2,3-dihydro-2-thioxo-, monohydrate
CAS Number: 65802-56-4
Product Number: AG003KQD(AGN-PC-0KJZX5)
Synonyms:
MDL No:
Molecular Formula: C4H7N3O2S
Molecular Weight: 161.1823

Identification/Properties


Properties
MP:
>300 °C(lit.)
BP:
557°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
161.179g/mol
Hydrogen Bond Donor Count:
4
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
0
Exact Mass:
161.026g/mol
Monoisotopic Mass:
161.026g/mol
Topological Polar Surface Area:
100A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
198
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:
2
Compound Is Canonicalized:
Yes

Safety Information


NMR Spectrum


Other Analytical Data


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