pyrimidine-2(1H)-thione


Chemical Name: pyrimidine-2(1H)-thione
CAS Number: 1450-85-7
Product Number: AG001KG7(AGN-PC-03FANV)
Synonyms:
MDL No:
Molecular Formula: C4H4N2S
Molecular Weight: 112.1530

Identification/Properties


Properties
MP:
230°C
BP:
191.3±23.0°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
112.15g/mol
XLogP3:
-1.1
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
1
Rotatable Bond Count:
0
Exact Mass:
112.01g/mol
Monoisotopic Mass:
112.01g/mol
Topological Polar Surface Area:
56.5A^2
Heavy Atom Count:
7
Formal Charge:
0
Complexity:
137
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:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
-
Packing Group:
-

NMR Spectrum


Other Analytical Data


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