5-[(E)-but-2-enyl]-5-(2-methylpropyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

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Names

[ CAS No. ]:
67050-02-6

[ Name ]:
5-[(E)-but-2-enyl]-5-(2-methylpropyl)-2-sulfanylidene-1,3-diazinane-4,6-dione

[Synonym ]:
5-(2-Butenyl)-5-isobutyl-2-sodiothio-4,6(1H,5H)-pyrimidinedione

Chemical & Physical Properties

[ Density]:
1.17g/cm3

[ Molecular Formula ]:
C12H18N2NaO2S+

[ Molecular Weight ]:
277.33800

[ Exact Mass ]:
277.09900

[ PSA ]:
90.29000

[ LogP ]:
2.17360

[ Index of Refraction ]:
1.558

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CQ1433500
CHEMICAL NAME :
Barbituric acid, 5-(2-butenyl)-5-isobutyl-2-thio-, sodium salt
CAS REGISTRY NUMBER :
67050-02-6
LAST UPDATED :
199107
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C12-H18-N2-O2-S.Na
MOLECULAR WEIGHT :
277.37
WISWESSER LINE NOTATION :
T6VMYNV FHJ CUS F2U2 F1Y1&1 &-NA- &31/6

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
252 mg/kg
TOXIC EFFECTS :
Behavioral - tremor Behavioral - convulsions or effect on seizure threshold
REFERENCE :
JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see JPMSAE. Volume(issue)/page/year: 34,183,1945
TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
114 mg/kg
TOXIC EFFECTS :
Behavioral - tremor Behavioral - convulsions or effect on seizure threshold
REFERENCE :
JAPMA8 Journal of the American Pharmaceutical Association, Scientific Edition. (Washington, DC) V.29-49, 1940-60. For publisher information, see JPMSAE. Volume(issue)/page/year: 34,183,1945

Related Compounds

  • 5-fluoro-2-methyl-N-(3-methylbutan-2-yl)aniline
  • Methyl 3-(2-amino-3-nitropyridin-4-yloxy)benzoate
  • (1-Cyclopropylethyl)[(1-ethylpyrrolidin-2-YL)methyl]amine
  • Ethyl 6-(furan-3-yl)imidazo[1,2-a]pyridine-2-carboxylate
  • N,N-Diethylbenzo[b]thiophene-3-carboxamide
  • [(1-Ethylpyrrolidin-2-YL)methyl](3-methylbutan-2-YL)amine
  • 3-((R)-4-{[(S)-4-Guanidino-1-(thiazole-2-carbonyl)-butylcarbamoyl]-methyl}-3-oxo-1-phenylmethanesulfonyl-piperazin-2-yl)-propionic acid methyl ester
  • 2-Bromo-5-m-tolylpyridine
  • 5-Bromo-2-(pyridin-2-YL)thiazole
  • N-[(2R)-1-hydroxy-3-methylbutan-2-yl]benzamide
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