S-Methyl-3-thioacetaminophen

CAS: 37398-23-5

Ref. 3D-FM25688

Product Information

• Name: S-Methyl-3-thioacetaminophen
• Synonyms: N-[4-Hydroxy-3-(methylthio)phenyl]-acetamide3-(Methylthio)acetaminophen3-(Methylthio)paracetamol, 3-(Methylthio)acetaminophen, 3-(Methylthio)paracetamol, 4′-Hydroxy-3′-(methylthio)acetanilide, Acetamide, N-[4-hydroxy-3-(methylthio)phenyl]-, N-[4-Hydroxy-3-(methylthio)phenyl]acetamide

Description

S-Methyl-3-thioacetaminophen is a metabolite of 3-methylcholanthrene that has been detected in human urine and serum. It is formed by enzymatic hydrolysis of the acetaminophen and 3-methylcholanthrene, which are both reactive compounds. S-Methyl-3-thioacetaminophen can be used as a biomarker to measure exposure to these compounds. The particle size distribution of this metabolite is radially symmetric with a diameter of about 1.5 nm in CDCl3, but becomes less uniform when exposed to organic solvents such as ethers or chloroform. The analytical methods for this compound include gas chromatography, ion chromatography, and mass spectrometry techniques.br>
S-Methyl-3-thioacetaminophen has been shown to have sulphate conjugates in humans, which may be due to the hydrolysis of the acetamin

• Brand: Biosynth

Chemical properties

• Molecular weight: 197.26 g/mol
• Formula: C₉H₁₁NO₂S
• Purity: Min. 95%
• InChI: InChI=1S/C9H11NO2S/c1-6(11)10-7-3-4-8(12)9(5-7)13-2/h3-5,12H,1-2H3,(H,10,11)
• InChI key: InChIKey=KNDKLDWGYWQCCJ-UHFFFAOYSA-N
• SMILES: CSc1cc(NC(C)=O)ccc1O