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CS-W001157 4
Total: USD 88.00

1,3-Diethyl-2-thiobarbituric acid

  • CAS No. 5217-47-0

  • Cat. No. CS-0204337
  • Purity≥95%
  • MDL No.MFCD00006676

*For research and further manufacturing use only, not for direct human use.

1,3-Diethyl-2-thiobarbituric acid|CS-0204337

Structure of 5217-47-0

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General Information

  • CAS No. 5217-47-0
  • Cat. No. CS-0204337
  • Purity ≥95%
  • MDL No. MFCD00006676
  • Storage 4°C
  • Shipping Room temperature in continental US; may vary elsewhere.
  • Molecular Formula C₈H₁₂N₂O₂S
  • Molecular Weight 200.26
  • Synonym(s) N-{2-[(3-methyl-1-phenyl-1H-pyrazol-5-yl)amino]phenyl}-4-nitrobenzamide
  • SMILES O=C1N(C(=S)N(C(=O)C1)CC)CC

Description

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.

Safety Information

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GHS Pictogram :
GHS No : GHS06
Signal Word : Danger
UN#: 2811
Class : 6.1
Packing Group : Ⅲ
Hazard Statements : H301-H317
Precautionary Statements : P261-P264-P270-P272-P280-P302+P352-P330-P362+P364-P405-P501

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Computational Chemistry Data

  • TPSA   40.62
  • LogP   0.372
  • H_Acceptors   3
  • H_Donors   0
  • Rotatable_Bonds   2

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