4,6(1H,5H)-Pyrimidinedione, 5-ethyldihydro-5-(1-methylethyl)-2-thioxo- (9CI)

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Names

[ CAS No. ]:
39847-06-8

[ Name ]:
4,6(1H,5H)-Pyrimidinedione, 5-ethyldihydro-5-(1-methylethyl)-2-thioxo- (9CI)

[Synonym ]:
BARBITURIC ACID,5-ETHYL-5-ISOPROPYL-2-THIO
5-Aethyl-5-isopropyl-2-thio-barbitursaeure
5-ethyl-5-isopropyl-2-thio-barbituric acid

Chemical & Physical Properties

[ Density]:
1.22g/cm3

[ Molecular Formula ]:
C9H14N2O2S

[ Molecular Weight ]:
214.28500

[ Exact Mass ]:
214.07800

[ PSA ]:
90.29000

[ LogP ]:
1.22730

[ Index of Refraction ]:
1.557

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CQ5505000
CHEMICAL NAME :
Barbituric acid, 5-ethyl-5-isopropyl-2-thio-
CAS REGISTRY NUMBER :
39847-06-8
BEILSTEIN REFERENCE NO. :
0167324
LAST UPDATED :
199612
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C9-H14-N2-O2-S
MOLECULAR WEIGHT :
214.31
WISWESSER LINE NOTATION :
T6VMYMV FHJ CUS FY1&1 F2

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
210 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
ARZNAD Arzneimittel-Forschung. Drug Research. (Editio Cantor Verlag, Postfach 1255, W-7960 Aulendorf, Fed. Rep. Ger.) V.1- 1951- Volume(issue)/page/year: 4,441,1954
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
80 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JACSAT Journal of the American Chemical Society. (American Chemical Soc., Distribution Office Dept. 223, POB 57136, West End Stn., Washington, DC 20037) V.1- 1879- Volume(issue)/page/year: 57,1961,1935

Synthetic Route

Precursor & DownStream

Precursor

  • diethyl 2-ethyl-2-propan-2-yl-propanedioate

DownStream


Related Compounds

  • 4,6(1H,5H)-Pyrimidinedione,1-(2-chlorophenyl)dihydro-3-phenyl-5-(2-phenyldiazenyl)-2-thioxo-
  • 4,6(1H,5H)-Pyrimidinedione,2-amino-5,5-diethyl-
  • 1-(2-Methoxy-ethyl)-2-thioxo-dihydro-pyrimidine-4,6-dione
  • Pentobarbital sodium
  • 5-ethyl-5-(1-ethylpropyl)-2-thiobarbituric acid
  • 4,6(1H,5H)-Pyrimidinedione,5-ethyl-5-hexyldihydro-2-thioxo-
  • 4,6(1H,5H)-Pyrimidinedione, 5-(hydroxymethylene)- (9CI)
  • 3-[(Oxiran-2-yl)methyl]quinoline
  • 2-(Aminomethyl)-4-(difluoromethyl)-3-iodopyridine-5-carboxylic acid
  • 2-(Aminomethyl)-5-(difluoromethyl)-6-(trifluoromethoxy)pyridine-3-acetic acid
  • 2-(Aminomethyl)-4-bromo-3-(difluoromethyl)-5-hydroxypyridine
  • 2-(Aminomethyl)-5-chloro-3-(trifluoromethoxy)pyridine-6-carboxylic acid
  • 2-(Aminomethyl)-5-(difluoromethyl)-3-methylpyridine-4-acetonitrile
  • 2-(Aminomethyl)-5-bromo-6-(difluoromethyl)-3-(trifluoromethoxy)pyridine
  • 2-(Aminomethyl)-5-chloro-3-hydroxy-6-(trifluoromethoxy)pyridine
  • 5-(naphthalen-2-yl)-1H-pyrazol-4-amine
  • 1-(1-Aminocyclobutyl)pent-4-yn-2-one
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