Product Name

  • Name

    5-Allyl-5-sec-butyl-2-sodiothio-4,6(1H,5H)-pyrimidinedione

  • EINECS
  • CAS No. 64058-14-6
  • Density
  • Solubility
  • Melting Point
  • Formula C11H16 N2 O2 S . Na
  • Boiling Point
  • Molecular Weight 262.33
  • Flash Point
  • Transport Information
  • Appearance
  • Safety Poison by ingestion, intraperitoneal, and intravenous routes. When heated to decomposition it emits very toxic fumes of NOx, SOx, and Na2O. See also BARBITURATES and ALLYL COMPOUNDS.
  • Risk Codes
  • Molecular Structure Molecular Structure of 64058-14-6 (5-Allyl-5-sec-butyl-2-sodiothio-4,6(1H,5H)-pyrimidinedione)
  • Hazard Symbols
  • Synonyms 4,6(1H,5H)-Pyrimidinedione,dihydro-5-(1-methylpropyl)-5-(2-propenyl)-2-thioxo-, monosodium salt (9CI)
  • PSA 100.10000
  • LogP 1.55020

5-Allyl-5-sec-butyl-2-thiobarbituric acid sodium salt Chemical Properties

Product Name: 5-Allyl-5-sec-butyl-2-thiobarbituric acid sodium salt (CAS NO.64058-14-6)


Molecular Formula: C11H15N2O2S•Na
Molecular Weight: 262.33g/mol
Mol File: 64058-14-6.mol
H-Bond Donor: 1
H-Bond Acceptor: 3
IUPAC Name: sodium 5-butan-2-yl-4,6-dioxo-5-prop-2-enyl-1H-pyrimidine-2-thiolate
Canonical SMILES: CCC(C)C1(C(=O)NC(=NC1=O)[S-])CC=C.[Na+]
InChI: InChI=1S/C11H16N2O2S.Na/c1-4-6-11(7(3)5-2)8(14)12-10(16)13-9(11)15;/h4,
7H,1,5-6H2,2-3H3,(H2,12,13,14,15,16);/q;+1/p-1 
InChIKey: ODAJVSVRPUSJQQ-UHFFFAOYSA-M

5-Allyl-5-sec-butyl-2-thiobarbituric acid sodium salt Toxicity Data With Reference

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
dog LDLo intravenous 60mg/kg (60mg/kg) BEHAVIORAL: GENERAL ANESTHETIC Journal of Pharmacology and Experimental Therapeutics. Vol. 60, Pg. 125, 1937.
dog LDLo oral 130mg/kg (130mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 60, Pg. 125, 1937.
rabbit LDLo intravenous 40mg/kg (40mg/kg) BEHAVIORAL: GENERAL ANESTHETIC Journal of Pharmacology and Experimental Therapeutics. Vol. 60, Pg. 125, 1937.
rat LDLo intraperitoneal 100mg/kg (100mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 60, Pg. 125, 1937.
rat LDLo intravenous 120mg/kg (120mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 60, Pg. 125, 1937.
rat LDLo oral 125mg/kg (125mg/kg)   Journal of Pharmacology and Experimental Therapeutics. Vol. 60, Pg. 125, 1937.

5-Allyl-5-sec-butyl-2-thiobarbituric acid sodium salt Safety Profile

Poison by ingestion, intraperitoneal, and intravenous routes. When heated to decomposition it emits very toxic fumes of NOx, SOx, and Na2O. See also BARBITURATES and ALLYL COMPOUNDS.

5-Allyl-5-sec-butyl-2-thiobarbituric acid sodium salt Specification

 5-Allyl-5-sec-butyl-2-thiobarbituric acid sodium salt ,its CAS NO. is 64058-14-6,the synonyms is Barbituric acid, 5-allyl-5-sec-butyl-2-thio-, sodium salt .

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