Record Information
Version1.0
StatusDetected and Quantified
Creation Date2021-05-14 18:40:38 UTC
Update Date2022-08-31 06:17:29 UTC
Metabolite IDMMDBc0000994
Metabolite Identification
Common Name8-Hydroxy-4-methoxyquinoline-2-carbothioic S-acid
Description8-hydroxy-4-methoxyquinoline-2-carbothioic S-acid belongs to the class of organic compounds known as hydroxyquinolines. Hydroxyquinolines are compounds containing a quinoline moiety bearing a hydroxyl group. 8-hydroxy-4-methoxyquinoline-2-carbothioic S-acid is a very strong basic compound (based on its pKa).
Structure
SynonymsNot Available
Molecular FormulaC11H9NO3S
Average Mass235.26
Monoisotopic Mass235.030314328
IUPAC Name8-hydroxy-4-methoxyquinoline-2-carbothioic S-acid
Traditional Name8-hydroxy-4-methoxyquinoline-2-carbothioic S-acid
CAS Registry NumberNot Available
SMILES
COC1=C2C=CC=C(O)C2=NC(=C1)C(S)=O
InChI Identifier
InChI=1S/C11H9NO3S/c1-15-9-5-7(11(14)16)12-10-6(9)3-2-4-8(10)13/h2-5,13H,1H3,(H,14,16)
InChI KeyFRALXELBBOKSAT-UHFFFAOYSA-N