462195

Sigma-Aldrich

1,3-Dibutyl-2-thiobarbituric acid

95%

Empirical Formula (Hill Notation):
C12H20N2O2S
CAS Number:
Molecular Weight:
256.36
MDL number:

assay

95%

drug control

regulated under CDSA - not available from Sigma-Aldrich Canada

mp

61-63 °C (lit.)

SMILES string

CCCCN1C(=O)CC(=O)N(CCCC)C1=S

General description

1,3-Dibutyl-2-thiobarbituric acid (DBTB) is a non-polar barbituric acid derivative. Its electronic structure has been studied by HeI and HeII UV photoelectron spectroscopy (UPS) and quantum chemical calculations.

Application

1,3-Dibutyl-2-thiobarbituric acid has been employed as a derivatization reagent for the determination of nicotine and its metabolites in urine by a quantitative method based on König reaction. This method helps to differentiate between smokers and non-smokers.

Certificate of Analysis

Certificate of Origin

Electronic structure and biological activity: Barbiturates vs. thiobarbiturates.
Novak I and Kovac B.
Chemical Physics Letters, 493(4), 242-244 (2010)
K L Chambers et al.
British journal of biomedical science, 58(2), 61-65 (2001-07-07)
A simple, quick and inexpensive test for smoking status would be useful in a variety of settings. The non-polar barbituric acid derivative 1,3-dibutyl-2-thiobarbituric acid (DBTB) is described as a novel derivatisation reagent for nicotine and its metabolites in the König...

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