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S-Methyl-thioacetaminophen-[d3]

General Information
Catalog: BLP-012113
CAS: 1215669-56-9
Molecular Formula: C9H8D3NO2S
Molecular Weight: 200.27
Chemical Structure
S-Methyl-thioacetaminophen-[d3]
Synonyms S-Methyl-d3-thioacetaminophen
IUPAC Name N-[4-hydroxy-3-(trideuteriomethylsulfanyl)phenyl]acetamide
Related CAS 37398-23-5 (unlabelled)
Canonical SMILES CC(=O)NC1=CC(=C(C=C1)O)SC
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)/i2D3
InChI Key KNDKLDWGYWQCCJ-BMSJAHLVSA-N
Boiling Point 391.7±37.0 °C at 760 mmHg
Melting Point 133-135°C
Purity 95% atom D
Density 1.3±0.1 g/cm3
Solubility Soluble in DMSO, Methanol
Appearance White to Off-white Solid
Application A Labelled metabolite of Acetaminophen.
Storage Store at -20°C

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