5-Pyrimidinecarbonitrile, 4,6-dichloro-2-(methylthio)-


Chemical Name: 5-Pyrimidinecarbonitrile, 4,6-dichloro-2-(methylthio)-
CAS Number: 33097-13-1
Product Number: AG003MPF(AGN-PC-0L7499)
Synonyms:
MDL No: MFCD00474490
Molecular Formula: C6H3Cl2N3S
Molecular Weight: 220.0791

Identification/Properties


Properties
MP:
107 °C
BP:
367.3°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
220.071g/mol
XLogP3:
2.7
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
1
Exact Mass:
218.942g/mol
Monoisotopic Mass:
218.942g/mol
Topological Polar Surface Area:
74.9A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
192
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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