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S-Methyl-thioacetaminophen-[d3]

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General Information
Catalog: BLP-012113
CAS: 1215669-56-9
Molecular Formula: C9H8D3NO2S
Molecular Weight: 200.27

Chemical Structure

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