4,6(1H,5H)-Pyrimidinedione, 2-(methylthio)-


Chemical Name: 4,6(1H,5H)-Pyrimidinedione, 2-(methylthio)-
CAS Number: 29639-68-7
Product Number: AG002YYC(AGN-PC-0JRNTK)
Synonyms:
MDL No:
Molecular Formula: C5H6N2O2S
Molecular Weight: 158.1783

Identification/Properties


Properties
MP:
>300 °C(lit.);
BP:
404.5°C at 760 mmHg
Storage:
Keep in dry area;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
158.175g/mol
XLogP3:
0
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
3
Rotatable Bond Count:
1
Exact Mass:
158.015g/mol
Monoisotopic Mass:
158.015g/mol
Topological Polar Surface Area:
83.8A^2
Heavy Atom Count:
10
Formal Charge:
0
Complexity:
212
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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