98276-57-4 Purity
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Specification
The molecular formula of CHEMBRDG-BB 4009838 is C7H8N2O3S.
Some synonyms for CHEMBRDG-BB 4009838 include [(4-hydroxy-6-methylpyrimidin-2-yl)sulfanyl]acetic acid and [(4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)thio]acetic acid.
CHEMBRDG-BB 4009838 was created on 2019-01-15 and last modified on 2023-12-30.
The molecular weight of CHEMBRDG-BB 4009838 is 200.22 g/mol.
The IUPAC Name of CHEMBRDG-BB 4009838 is 2-[(4-methyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetic acid.
The Canonical SMILES representation of CHEMBRDG-BB 4009838 is CC1=CC(=O)NC(=N1)SCC(=O)O.
The InChIKey of CHEMBRDG-BB 4009838 is LVGJFVUANDOIKJ-UHFFFAOYSA-N.
The XLogP3-AA value of CHEMBRDG-BB 4009838 is 0.2.
CHEMBRDG-BB 4009838 has 2 hydrogen bond donor counts.
Yes, CHEMBRDG-BB 4009838 is a canonicalized compound.