CAS
90007-06-0 Purity
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90007-06-0 Purity
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The molecular formula is C8H10N2O2S.
The molecular weight is 198.24 g/mol.
The IUPAC name is methyl 6-methyl-2-methylsulfanylpyrimidine-4-carboxylate.
The InChI code is InChI=1S/C8H10N2O2S/c1-5-4-6(7(11)12-2)10-8(9-5)13-3/h4H,1-3H3.
The InChIKey is HMJWTOFSFHDFDA-UHFFFAOYSA-N.
The canonical SMILES is CC1=CC(=NC(=N1)SC)C(=O)OC.
The CAS number is 90007-36-6.
It has 0 hydrogen bond donor counts.
It has 5 hydrogen bond acceptor counts.
It has 3 rotatable bond counts.