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


Chemical Name: 5-Pyrimidinecarboxaldehyde, 4,6-dichloro-2-(methylthio)-
CAS Number: 33097-11-9
Product Number: AG003KJ2(AGN-PC-0LE6U9)
Synonyms:
MDL No: MFCD00194954
Molecular Formula: C6H4Cl2N2OS
Molecular Weight: 223.0798

Identification/Properties


Properties
MP:
82-84°C
BP:
327.7°C at 760 mmHg
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
223.071g/mol
XLogP3:
2.4
Hydrogen Bond Donor Count:
0
Hydrogen Bond Acceptor Count:
4
Rotatable Bond Count:
2
Exact Mass:
221.942g/mol
Monoisotopic Mass:
221.942g/mol
Topological Polar Surface Area:
68.2A^2
Heavy Atom Count:
12
Formal Charge:
0
Complexity:
160
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-H317
Precautionary Statements:
P280
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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