103980-68-3 Purity
97%
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Specification
The molecular formula is C15H16N2O3S.
Some synonyms include 41840-29-3, S-(4,6-Dimethylpyrimidin-2-yl) O-(p-methoxybenzyl) thiocarbonate, and (4-methoxyphenyl)methyl (4,6-dimethylpyrimidin-2-yl)sulfanylformate.
The molecular weight is 304.4 g/mol.
The IUPAC name is (4-methoxyphenyl)methyl (4,6-dimethylpyrimidin-2-yl)sulfanylformate.
The InChI is InChI=1S/C15H16N2O3S/c1-10-8-11(2)17-14(16-10)21-15(18)20-9-12-4-6-13(19-3)7-5-12/h4-8H,9H2,1-3H3.
The InChIKey is DDIJXDDZBQMPDQ-UHFFFAOYSA-N.
The Canonical SMILES is CC1=CC(=NC(=N1)SC(=O)OCC2=CC=C(C=C2)OC)C.
The CAS number is 41840-29-3.
There are 6 hydrogen bond acceptors.
The topological polar surface area is 86.6 Å2.
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