CAS
21344-24-1 Purity
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21344-24-1 Purity
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Specification
The molecular formula is C8H8N2O2S.
The molecular weight is 196.23 g/mol.
The IUPAC name is 2,4-dimethoxythieno[3,2-d]pyrimidine.
The InChI code is InChI=1S/C8H8N2O2S/c1-11-7-6-5(3-4-13-6)9-8(10-7)12-2/h3-4H,1-2H3.
The InChIKey is BLQHVGIQCWHGGO-UHFFFAOYSA-N.
The canonical SMILES is COC1=NC(=NC2=C1SC=C2)OC.
The XLogP3-AA value is 1.9.
It has 0 hydrogen bond donor counts.
It has 5 hydrogen bond acceptor counts.
It has 2 rotatable bond counts.