1-Allyl-5-ethyl-5-isopentyl-2-thiobarbituric acid

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Names

[ CAS No. ]:
66941-64-8

[ Name ]:
1-Allyl-5-ethyl-5-isopentyl-2-thiobarbituric acid

[Synonym ]:
1-Allyl-5-ethyl-5-isopentyl-2-sodiothio-4,6(1H,5H)-pyrimidinedione

Chemical & Physical Properties

[ Density]:
1.12g/cm3

[ Boiling Point ]:
380.1ºC at 760mmHg

[ Molecular Formula ]:
C14H22N2NaO2S+

[ Molecular Weight ]:
305.39100

[ Flash Point ]:
183.7ºC

[ Exact Mass ]:
305.13000

[ PSA ]:
81.50000

[ LogP ]:
2.51500

[ Index of Refraction ]:
1.546

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
CP8416000
CHEMICAL NAME :
Barbituric acid, 1-allyl-5-ethyl-5-isopentyl-2-thio-, sodium salt
CAS REGISTRY NUMBER :
66941-64-8
LAST UPDATED :
199009
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C14-H22-N2-O2-S.Na
MOLECULAR WEIGHT :
305.43
WISWESSER LINE NOTATION :
T6VNYNV FHJ B2U1 CUS F2Y1&1 F2 &-NA- &30/6

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Intraperitoneal
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
500 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JOCEAH Journal of Organic Chemistry. (American Chemical Soc., Distribution Office Dept. 223, POB 57136, West End Stn., Washington, DC 20037) V.1- 1936- Volume(issue)/page/year: 5,238,1940

Related Compounds

  • 5-Ethyl-5-isopentyl-2-sodiothio-4,6(1H,5H)-pyrimidinedione
  • 1-Allyl-5-ethyl-5-phenylpyrimidine-2,4,6(1H,3H,5H)-trione
  • 1-Butyl-5-ethyl-5-isopentyl-2-sodiooxy-4,6(1H,5H)-pyrimidinedione
  • Thioethanyl
  • thiopental
  • 5-Ethyl-5-(ethylthiomethyl)-2,3-dihydro-2-thioxo-4,6(1H,5H)-pyrimidinedione