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

Modify Date: 2025-08-20 18:01:16

4,6 (1H, 5H)-Pyrimidinedione, 5,5-diethyldihydro-1-(2-propenyl)-2-thioxo-, monosodium salt structure	Common Name	4,6 (1H, 5H)-Pyrimidinedione, 5,5-diethyldihydro-1-(2-propenyl)-2-thioxo-, monosodium salt
	CAS Number	66941-61-5	Molecular Weight	263.31200
	Density	1.19g/cm3	Boiling Point	342.1ºC at 760mmHg
	Molecular Formula	C₁₁H₁₆N₂NaO₂S+	Melting Point	N/A
	MSDS	N/A	Flash Point	160.7ºC

Name	Barbituric acid, 1-allyl-5,5-diethyl-2-thio-, sodium salt
Synonym	More Synonyms

Density	1.19g/cm3
Boiling Point	342.1ºC at 760mmHg
Molecular Formula	C₁₁H₁₆N₂NaO₂S+
Molecular Weight	263.31200
Flash Point	160.7ºC
Exact Mass	263.08300
PSA	81.50000
LogP	1.48880
Index of Refraction	1.565
InChIKey	DSPCHRXQBWIGSG-UHFFFAOYSA-N
SMILES	C=CCN1C(=O)C(CC)(CC)C(=O)NC1=S.[Na+]

CHEMICAL IDENTIFICATION

RTECS NUMBER :: CP8408000

CHEMICAL NAME :: Barbituric acid, 1-allyl-5,5-diethyl-2-thio-, sodium salt

CAS REGISTRY NUMBER :: 66941-61-5

LAST UPDATED :: 199009

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C11-H16-N2-O2-S.Na

MOLECULAR WEIGHT :: 263.34

WISWESSER LINE NOTATION :: T6VNYNV FHJ B2U1 CUS F2 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 :: 700 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

1-Allyl-5,5-diethyl-2-sodiothio-4,6(1H,5H)-pyrimidinedione

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