4-Hydroxy-6-(trifluoromethyl)pyrimidine-2-thiol


Chemical Name: 4-Hydroxy-6-(trifluoromethyl)pyrimidine-2-thiol
CAS Number: 368-54-7
Product Number: AG00I7A8(AGN-PC-0WAAHD)
Synonyms:
MDL No:
Molecular Formula: C5H3F3N2OS
Molecular Weight: 196.1503

Identification/Properties


Properties
MP:
246-250 °C(lit.)
BP:
284.1°C at 760 mmHg
Storage:
Inert atmosphere;Room Temperature;
Form:
Solid
Computed Properties
Molecular Weight:
196.147g/mol
XLogP3:
0.5
Hydrogen Bond Donor Count:
2
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
0
Exact Mass:
195.992g/mol
Monoisotopic Mass:
195.992g/mol
Topological Polar Surface Area:
73.2A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
270
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#:
N/A
Hazard Statements:
H302-H315-H319-H332-H335
Precautionary Statements:
P261-P280-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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