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

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Names

[ 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

Click to get detail synthetic route

Precursor & DownStream

Precursor

DownStream

Related Compounds

Ethyl 2-(2-{[4-cyano-1-(thiophen-2-YL)-5,6,7,8-tetrahydroisoquinolin-3-YL]sulfanyl}acetamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Ethyl 2-{[(1-amino-5-ethyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinolin-2-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Ethyl 2-(2-{[4-(4-chlorophenyl)phthalazin-1-YL]sulfanyl}acetamido)-4,5-dimethylthiophene-3-carboxylate
Methyl 2-(3-amino-6-methylthieno[2,3-b]pyridine-2-carboxamido)-4,5-dimethoxybenzoate
Ethyl 2-{2-[(3-cyano-6-methylpyridin-2-YL)sulfanyl]acetamido}-4,5-dimethylthiophene-3-carboxylate
8-Carboxy-2-phenyl[1,3]thiazolo[3,2-a]pyridin-4-ium-3-olate
Methyl 2-[1-amino-5-(thiophen-2-YL)-6H,7H,8H,9H-thieno[2,3-C]isoquinoline-2-amido]-4,5-dimethoxybenzoate
Methyl 2-(1-amino-5-ethyl-6,7,8,9-tetrahydrothieno[2,3-c]isoquinoline-2-carboxamido)benzoate
Methyl 4,5-dimethoxy-2-[2-(4-methylphthalazinylthio)acetylamino]benzoate
2-{[(4-{[(3-Cyano-6-methylpyridin-2-YL)sulfanyl]methyl}phenyl)methyl]sulfanyl}-6-methylpyridine-3-carbonitrile

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