5-Pyrimidinecarboxylic acid, 4,6-dichloro-2-(methylthio)-


Chemical Name: 5-Pyrimidinecarboxylic acid, 4,6-dichloro-2-(methylthio)-
CAS Number: 313339-35-4
Product Number: AG003KJ4(AGN-PC-03JPB9)
Synonyms:
MDL No: MFCD06208699
Molecular Formula: C6H4Cl2N2O2S
Molecular Weight: 239.0792

Identification/Properties


Properties
MP:
160 - 163 °C
Storage:
Inert atmosphere;2-8℃;
Form:
Solid
Computed Properties
Molecular Weight:
239.07g/mol
XLogP3:
2.5
Hydrogen Bond Donor Count:
1
Hydrogen Bond Acceptor Count:
5
Rotatable Bond Count:
2
Exact Mass:
237.937g/mol
Monoisotopic Mass:
237.937g/mol
Topological Polar Surface Area:
88.4A^2
Heavy Atom Count:
13
Formal Charge:
0
Complexity:
195
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:
H315-H319-H335
Precautionary Statements:
P261-P305+P351+P338
Class:
N/A
Packing Group:
N/A

NMR Spectrum


Other Analytical Data


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