[U-Ring-13C6]-4-(Methylthio)benzoic acid

Product Name [U-Ring-13C6]-4-(Methylthio)benzoic acid
CAT No. CS-EK-00518
CAS No. 13205-48-6 unlabeled
Category Stable Isotopes
Stock Enquire
Mol. Wt. Not Available
Mol. For. Not Available
Hazardous This is not a Hazardous Compound
COA View Sample COA
MSDS View Sample MSDS
Canonical Smiles CSC1=CC=C(C=C1)C(=O)O
InchIKey KWHCPERWLHBLOT-UHFFFAOYSA-N
Inchl InChI=1S/C8H8O2S/c1-11-7-4-2-6(3-5-7)8(9)10/h2-5H,1H3,(H,9,10)
IUPAC 4-methylsulfanylbenzoic acid
Controlled No
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[U-Ring-13C6]-4-(Methylthio)benzoic acid is a chemical compound that is widely used in various research fields. It is a derivative of benzoic acid with a methylthio group attached to it, and six of the carbon atoms in the benzene ring labeled with carbon-13 isotope. The compound is also known as [U-13C6]-4-(Methylthio)benzoic acid. The compound is primarily used as a reference standard in mass spectrometry and nuclear magnetic resonance (NMR) spectroscopy, which are analytical techniques used to identify and quantify chemical compounds. Its stable isotope-labeled structure enables researchers to differentiate between the compound and its other isotopically-labeled analogs, which is crucial in quantitative analysis. [U-Ring-13C6]-4-(Methylthio)benzoic acid is also used in various metabolic studies, particularly in the analysis of sulfur metabolism in living organisms. The compound is known to be metabolized by the liver, where it is converted into various metabolites that are excreted in urine. In terms of chemical properties, [U-Ring-13C6]-4-(Methylthio)benzoic acid has a molecular formula of C8H6O2SC13 and a molecular weight of 234.2 g/mol. It has a melting point of 135-137°C and is soluble in organic solvents such as ethanol, methanol, and dimethyl sulfoxide (DMSO). Overall, [U-Ring-13C6]-4-(Methylthio)benzoic acid is a valuable tool in various research applications, particularly in the fields of mass spectrometry, NMR spectroscopy, and metabolic studies.

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