4,6(1H,5H)-Pyrimidinedione,5,5-diethyldihydro-2-thioxo-

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Names

[ CAS No. ]:
77-32-7

[ Name ]:
4,6(1H,5H)-Pyrimidinedione,5,5-diethyldihydro-2-thioxo-

[Synonym ]:
5,5-Diaethyl-2-thio-barbitursaeure
5,5-diethyl-2-thioxo-dihydro-pyrimidine-4,6-dione
Sedothyron
Ibition
5,5-Diethyl-2-thiobarbituric acid
Thyreosedine
2-Thiobarbital
Thiobaral
2-thio-5,5-diethylbarbituric acid
Certodorm
Thiothyr
Thiobarbital
Thiobarbitone
Diethylthiobarbituric acid

Chemical & Physical Properties

[ Density]:
1.26g/cm3

[ Molecular Formula ]:
C8H12N2O2S

[ Molecular Weight ]:
200.25800

[ Exact Mass ]:
200.06200

[ PSA ]:
90.29000

[ LogP ]:
0.98130

[ Index of Refraction ]:
1.568

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CQ3880000
CHEMICAL NAME :
Barbituric acid, 5,5-diethyl-2-thio-
CAS REGISTRY NUMBER :
77-32-7
LAST UPDATED :
199209
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C8-H12-N2-O2-S
MOLECULAR WEIGHT :
200.28

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
175 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPETAB Journal of Pharmacology and Experimental Therapeutics. (Williams & Wilkins Co., 428 E. Preston St., Baltimore, MD 21202) V.1- 1909/10- Volume(issue)/page/year: 97,478,1949
TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Intravenous
SPECIES OBSERVED :
Rodent - rabbit
DOSE/DURATION :
>200 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 diethylmalonate
  • Carbon disulphide
  • Propanediamide,2,2-diethyl-
  • 2,2-diethylpropanedioyl dichloride
  • Hydrochloric acid
  • 5,5-diethyl-4,6-diamino-5H-pyrimidine-2-thione
  • 6-amino-5,5-diethyl-2-sulfanylidene-pyrimidin-4-one
  • Sulfuric acid

DownStream

  • barbital
  • 5,5-diethyl-dihydro-pyrimidine-4,6-dione
  • diethylmalonic acid
  • Propanediamide,2,2-diethyl-
  • diethylthiomalonuric acid
  • (2-Ethyl-butanoyl)thiourea
  • ch3cho
  • 2-ethoxy-5,5-diethyl-1,3-diazinane-4,6-dione
  • 5,5-diethyl-1,3-diazinane-2,4,6-trithione