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1,3-Diethyl-2-thiobarbituric acid

ALDRICH/161950 - 99%

Synonym: 1,3-Diethyl-2-sulfanylidene-1,3-diazinane-4,6-dione; 1,3-Diethyldihydro-2-thioxo-4,6(1H,5H)-pyrimidinedione; 1,3-Diethylthiobarbituric acid; N,N′-Diethyl-2-thiobarbituric acid

CAS Number: 5217-47-0
Empirical Formula (Hill Notation): C8H12N2O2S
Molecular Weight: 200.26
EC Number: 226-010-7
MDL Number: MFCD00006676
Linear Formula: C8H12N2O2S
Product Type: Chemical
Catalog Number PKG Qty. Price Quantity
45-161950-50G 50 g
 $841.00
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This picture is provided solely for illustration purposes. Optical properties of the actual product may deviate. Relevant product information is printed on labeled products and other accompanying or available information material.

This image depicts SKU: 161950-50G

 

assay 99%
drug control regulated under CDSA - not available from Sigma-Aldrich Canada
InChI 1S/C8H12N2O2S/c1-3-9-6(11)5-7(12)10(4-2)8(9)13/h3-5H2,1-2H3
InChI key SHBTUGJAKBRBBJ-UHFFFAOYSA-N
mp 109-112 °C (lit.)
SMILES string CCN1C(=O)CC(=O)N(CC)C1=S
solubility 1 M NaOH: soluble 50 mg/mL, clear, colorless to light yellow
Application: 1,3-Diethyl-2-thiobarbituric acid (DETBA) was used as coinitiator during the photopolymerization of dental materials. It was used as reagent in electrochemical oxidation of 3,4-dihydroxybenzoic acid to yield benzofuro[2,3-d]pyrimidine derivatives. It was used in DETBA assay for determination of nicotine metabolites in human urine by HPLC.
Packaging: 50 g in poly bottle
Purity 99%
mp 109-112 °C (lit.)
UNSPSC 12352100

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