Theophylline, 8- (heptylthio)-2-thio-

Modify Date: 2025-09-05 16:05:20

Theophylline, 8- (heptylthio)-2-thio- structure	Common Name	Theophylline, 8- (heptylthio)-2-thio-
	CAS Number	4776-10-7	Molecular Weight	326.48100
	Density	1.29g/cm3	Boiling Point	507ºC at 760 mmHg
	Molecular Formula	C₁₄H₂₂N₄OS₂	Melting Point	N/A
	MSDS	N/A	Flash Point	260.4ºC

Name	Uric acid, 1,3-dimethyl-(8-heptylthio)-2-thio
Synonym	More Synonyms

Density	1.29g/cm3
Boiling Point	507ºC at 760 mmHg
Molecular Formula	C₁₄H₂₂N₄OS₂
Molecular Weight	326.48100
Flash Point	260.4ºC
Exact Mass	326.12400
PSA	113.00000
LogP	3.39210
Index of Refraction	1.634

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XH5637000

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

CAS REGISTRY NUMBER :: 4776-10-7

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C14-H22-N4-O-S2

MOLECULAR WEIGHT :: 326.52

WISWESSER LINE NOTATION :: T56 BM DN FNYNVJ CS7 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 :: 180 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#04434

8-(Heptylthio)-2-thiotheophylline

8-n-Heptylthio-2-thiotheophyllin

1,3-Dimethyl-2,7-dihydro-8-(heptylthio)-2-thioxo-1H-purin-6(3H)-one

8-heptylsulfanyl-1,3-dimethyl-2-thioxo-1,2,3,7(9)-tetrahydro-purin-6-one

3,7-Dihydro-1,3-dimethyl-8-(heptylthio)-2-thioxo-1H-purin-6(2H)-one

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Product Name: Theophylline, 8- (heptylthio)-2-thio-
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Purity: 98.0%
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