1H-Purine-2,6-dione, 3,7-dihydro-1, 3-dimethyl-8- (propylthio)-

Modify Date: 2025-09-09 10:48:42

1H-Purine-2,6-dione, 3,7-dihydro-1, 3-dimethyl-8- (propylthio)- structure	Common Name	1H-Purine-2,6-dione, 3,7-dihydro-1, 3-dimethyl-8- (propylthio)-
	CAS Number	73908-84-6	Molecular Weight	254.30900
	Density	1.41g/cm3	Boiling Point	471.3ºC at 760 mmHg
	Molecular Formula	C₁₀H₁₄N₄O₂S	Melting Point	N/A
	MSDS	N/A	Flash Point	238.9ºC

Name	Theophylline, (8-propylthio)

Density	1.41g/cm3
Boiling Point	471.3ºC at 760 mmHg
Molecular Formula	C₁₀H₁₄N₄O₂S
Molecular Weight	254.30900
Flash Point	238.9ºC
Exact Mass	254.08400
PSA	97.98000
LogP	0.46240
Index of Refraction	1.643
InChIKey	RFPGEDDGVUAZQE-UHFFFAOYSA-N
SMILES	CCCSc1nc2c([nH]1)c(=O)n(C)c(=O)n2C

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XH6493000

CHEMICAL NAME :: Theophylline, 8-propylthio-

CAS REGISTRY NUMBER :: 73908-84-6

LAST UPDATED :: 197901

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C10-H14-N4-O2-S

MOLECULAR WEIGHT :: 254.34

WISWESSER LINE NOTATION :: T56 BM DN FNVNVJ CS3 F1 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 :: 56 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#04404

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Product Name: 1H-Purine-2,6-dione, 3,7-dihydro-1, 3-dimethyl-8- (propylthio)-
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Purity: 98.0%
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