2H-Purin-2-one,1,3,6,9-tetrahydro-1,3-dimethyl-8-[[(tetrahydro-2-furanyl)methyl]thio]-6-thioxo-

Modify Date: 2025-07-16 05:43:29

2H-Purin-2-one,1,3,6,9-tetrahydro-1,3-dimethyl-8-[[(tetrahydro-2-furanyl)methyl]thio]-6-thioxo- structure	Common Name	2H-Purin-2-one,1,3,6,9-tetrahydro-1,3-dimethyl-8-[[(tetrahydro-2-furanyl)methyl]thio]-6-thioxo-
	CAS Number	6493-47-6	Molecular Weight	312.41100
	Density	1.5g/cm3	Boiling Point	542.1ºC at 760mmHg
	Molecular Formula	C₁₂H₁₆N₄O₂S₂	Melting Point	N/A
	MSDS	N/A	Flash Point	281.7ºC

Name	1,3-dimethyl-8-(oxolan-2-ylmethylsulfanyl)-6-sulfanylidene-7H-purin-2-one

Density	1.5g/cm3
Boiling Point	542.1ºC at 760mmHg
Molecular Formula	C₁₂H₁₆N₄O₂S₂
Molecular Weight	312.41100
Flash Point	281.7ºC
Exact Mass	312.07100
PSA	122.23000
LogP	1.60070
Index of Refraction	1.705
InChIKey	SXLIZCRHKYNSMR-UHFFFAOYSA-N
SMILES	Cn1c(=S)c2[nH]c(SCC3CCCO3)nc2n(C)c1=O

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XH6746000

CHEMICAL NAME :: Theophylline, 8-(tetrahydrofurfuryl)thio-6-thio-

CAS REGISTRY NUMBER :: 6493-47-6

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C12-H16-N4-O2-S2

MOLECULAR WEIGHT :: 312.44

WISWESSER LINE NOTATION :: T56 BM DN FNVNYJ F1 H1 IUS CS1- BT5OTJ

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#04458

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