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161950

1,3-Diethyl-2-thiobarbituric acid

Name: 1,3-Diethyl-2-thiobarbituric acid
Brand: ALDRICH

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

NACRES:

NA.22

PubChem Substance ID:

24849962

UNSPSC Code:

12352100

EC Number:

226-010-7

MDL number:

MFCD00006676

Assay:

99%

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Properties

Quality Segment

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

functional group

thiourea

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

Description

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.

pictograms

GHS06

signalword

Danger

hcodes

H301,H317

pcodes

P280 - P301 + P310 + P330 - P302 + P352

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

WGK 3

flash_point_f

Not applicable

flash_point_c