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161950

Sigma-Aldrich

1,3-Diethyl-2-thiobarbituric acid

99%

Synonym(s):

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

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About This Item

Empirical Formula (Hill Notation):
C8H12N2O2S
CAS Number:
5217-47-0
Molecular Weight:
200.26
EC Number:
226-010-7
MDL number:
MFCD00006676
UNSPSC Code:
12352100
PubChem Substance ID:
24849962
NACRES:
NA.22

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Quality Level

100

assay

99%

drug control

regulated under CDSA - not available from Sigma-Aldrich Canada

mp

109-112 °C (lit.)

solubility

1 M NaOH: soluble 50 mg/mL, clear, colorless to light yellow

SMILES string

CCN1C(=O)CC(=O)N(CC)C1=S

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

Related Categories

Application

1,3-Diethyl-2-thiobarbituric acid (DETBA) was used as coinitiator during the photopolymerization of dental materials[1]. It was used as reagent in electrochemical oxidation of 3,4-dihydroxybenzoic acid to yield benzofuro[2,3-d]pyrimidine derivatives[2]. It was used in DETBA assay for determination of nicotine metabolites in human urine by HPLC[3].

pictograms

Skull and crossbones
GHS06

signalword

Danger

hcodes

H301,H317

Hazard Classifications

Acute Tox. 3 Oral - Skin Sens. 1

Storage Class

6.1C - Combustible acute toxic Cat.3 / toxic compounds or compounds which causing chronic effects

wgk_germany

WGK 3

flash_point_f

Not applicable

flash_point_c

Not applicable

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Certificates of Analysis (COA)

Lot/Batch Number
MKCW0759
MKCQ1172
MKCH2520
MKCJ4376
MKCH2519

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H Peach et al.
Thorax, 40(5), 351-357 (1985-05-01)
Three novel colorimetric methods of detecting urinary nicotine metabolites called the barbituric acid, diethylthiobarbituric acid (DETB), and DETB extraction methods were evaluated for use as a simple, cheap, objective test of smoking. Urine samples were collected from 103 male smokers
E B Hoving et al.
Clinica chimica acta; international journal of clinical chemistry, 208(1-2), 63-76 (1992-06-15)
We investigated the influence of different concentrations of Fe3+, phosphoric acid, butylated hydroxytoluene and glutathione on the production of the malondialdehyde-1,3-diethyl-2-thiobarbituric acid adduct in plasma lipid extracts. Following organic solvent extraction the stable product was analyzed by spectrophotometry (537 nm)
Eliseu A Münchow et al.
Journal of biomedical materials research. Part B, Applied biomaterials, 101(7), 1217-1221 (2013-04-09)
The ethyl-4-dimethylaminobenzoate (EDAB) is widely used as a coinitiator of the camphorquinone (CQ), but in acidic circumstances it might present some instability, reducing the polymerization efficiency of the material. Considering this, new coinitiators are being evaluated. Hence, this study evaluated
Davood Nematollahi et al.
The Journal of organic chemistry, 67(14), 5036-5039 (2002-07-06)
Electrochemical oxidation of 3,4-dihydroxybenzoic acid (1) in the presence of 1,3-dimethylbarbituric acid (2) and 1,3-diethyl-2-thiobarbituric acid (3) as nucleophiles in aqueous solution has been studied using cyclic voltammetry and controlled-potential coulometry. The results indicate that 1 via Michael reaction under
K Rustemeier et al.
Journal of chromatography, 613(1), 95-103 (1993-03-05)
The 1,3-diethyl-2-thiobarbituric acid (DETBA) assay for nicotine metabolites has been improved so that it can be used to determine the concentrations of nicotine and up to 12 metabolites in the urine of humans and laboratory animals, including phase 2 metabolites.
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