CAS
5053-43-0 Purity
97%
5053-43-0 Purity
97%
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Specification
The molecular formula is C6H3Cl3N2OS.
The molecular weight is 257.5 g/mol.
The IUPAC name is 4,6-dichloro-2-methylsulfanylpyrimidine-5-carbonyl chloride.
The InChI is InChI=1S/C6H3Cl3N2OS/c1-13-6-10-3(7)2(5(9)12)4(8)11-6/h1H3.
The InChIKey is MHZGWIOWCZZQNF-UHFFFAOYSA-N.
The canonical SMILES is CSC1=NC(=C(C(=N1)Cl)C(=O)Cl)Cl.
The CAS number is 1269119-14-3.
The European Community (EC) number is 694-337-6.
The XLogP3-AA value is 3.5.
Yes, it is a canonicalized compound.