Uric acid, 1,3-dimethyl-8-ethylthio-2-thio-

Modify Date: 2025-11-11 11:50:39

Uric acid, 1,3-dimethyl-8-ethylthio-2-thio- structure	Common Name	Uric acid, 1,3-dimethyl-8-ethylthio-2-thio-
	CAS Number	4989-72-4	Molecular Weight	256.34800
	Density	1.49g/cm3	Boiling Point	467.6ºC at 760 mmHg
	Molecular Formula	C₉H₁₂N₄OS₂	Melting Point	N/A
	MSDS	N/A	Flash Point	236.6ºC

Name	8-ethylsulfanyl-1,3-dimethyl-2-sulfanylidene-7H-purin-6-one
Synonym	More Synonyms

Density	1.49g/cm3
Boiling Point	467.6ºC at 760 mmHg
Molecular Formula	C₉H₁₂N₄OS₂
Molecular Weight	256.34800
Flash Point	236.6ºC
Exact Mass	256.04500
PSA	113.00000
LogP	1.44160
Index of Refraction	1.715
InChIKey	FJJMWVUYANHDBE-UHFFFAOYSA-N
SMILES	CCSc1nc2c([nH]1)c(=O)n(C)c(=S)n2C

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XH5622000

CHEMICAL NAME :: Theophylline, 8-ethylthio-2-thio-

CAS REGISTRY NUMBER :: 4989-72-4

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C9-H12-N4-O-S2

MOLECULAR WEIGHT :: 256.37

WISWESSER LINE NOTATION :: T56 BM DN FNYNVJ CS2 F1 GUS H1

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 :: 10 mg/kg

TOXIC EFFECTS :: Details of toxic effects not reported other than lethal dose value

REFERENCE :: CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#04423

8-Ethylthio-2-thiotheophyllin

Uric acid,1,3-dimethyl-8-ethylthio-2-thio

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