CAS
98276-29-0 Purity
96%
98276-29-0 Purity
96%
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The molecular formula is C7H8N2O2S.
The molecular weight is 184.22 g/mol.
The IUPAC name is 4-methyl-2-methylsulfanylpyrimidine-5-carboxylic acid.
The Canonical SMILES is CC1=NC(=NC=C1C(=O)O)SC.
The InChIKey is AOPKZVQATOWLNA-UHFFFAOYSA-N.
There is 1 hydrogen bond donor count.
There are 5 hydrogen bond acceptor counts.
The topological polar surface area is 88.4 Ų.
Yes, the compound is canonicalized.
The compound was created on 2005-09-09 and last modified on 2023-12-30.