5-(2-BUTENYL)-5-ETHYL-2-THIOBARBITURIC ACID SODIUM SALT

Modify Date: 2025-09-21 14:24:07

5-(2-BUTENYL)-5-ETHYL-2-THIOBARBITURIC ACID SODIUM SALT structure	Common Name	5-(2-BUTENYL)-5-ETHYL-2-THIOBARBITURIC ACID SODIUM SALT
	CAS Number	67050-00-4	Molecular Weight	249.28500
	Density	1.23g/cm3	Boiling Point	N/A
	Molecular Formula	C₁₀H₁₄N₂NaO₂S+	Melting Point	N/A
	MSDS	N/A	Flash Point	N/A

Name	Barbituric acid, 5-(2-butenyl)-5-ethyl-2-thio-, sodium salt

Density	1.23g/cm3
Molecular Formula	C₁₀H₁₄N₂NaO₂S+
Molecular Weight	249.28500
Exact Mass	249.06700
PSA	90.29000
LogP	1.53750
Index of Refraction	1.575
InChIKey	BZRPEZQPNXATNL-WGCWOXMQSA-N
SMILES	CC=CCC1(CC)C(=O)NC(=S)NC1=O.[Na+]

CHEMICAL IDENTIFICATION

RTECS NUMBER :: CQ1430000

CHEMICAL NAME :: Barbituric acid, 5-(2-butenyl)-5-ethyl-2-thio-, sodium salt

CAS REGISTRY NUMBER :: 67050-00-4

LAST UPDATED :: 199107

DATA ITEMS CITED :: 2

MOLECULAR FORMULA :: C10-H14-N2-O2-S.Na

MOLECULAR WEIGHT :: 249.31

WISWESSER LINE NOTATION :: T6VMYNV FHJ CUS F2U2 F2 &-NA- &27/6

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 :: 123 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 :: 53 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

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Product Name: 5-(2-BUTENYL)-5-ETHYL-2-THIOBARBITURIC ACID SODIUM SALT
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