CAS
25940-35-6 Purity
96%
25940-35-6 Purity
96%
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Specification
The molecular formula is C7H9IN2OS.
It was first created on 2007-02-08.
The IUPAC name is 5-iodo-4-methoxy-6-methyl-2-methylsulfanylpyrimidine.
The InChI is InChI=1S/C7H9IN2OS/c1-4-5(8)6(11-2)10-7(9-4)12-3/h1-3H3.
The InChIKey is IXLHBHWZJSTGRU-UHFFFAOYSA-N.
It has 4 hydrogen bond acceptors.
The topological polar surface area is 60.3 Ų.
Yes, it is a canonicalized compound.
The molecular weight is 296.13 g/mol.
It has 2 rotatable bond counts.