1,3-dimethyl-8-nonylsulfanyl-2-sulfanylidene-7H-purin-6-one

Modify Date: 2025-09-20 19:18:51

1,3-dimethyl-8-nonylsulfanyl-2-sulfanylidene-7H-purin-6-one structure	Common Name	1,3-dimethyl-8-nonylsulfanyl-2-sulfanylidene-7H-purin-6-one
	CAS Number	4776-11-8	Molecular Weight	354.53400
	Density	1.24g/cm3	Boiling Point	526.1ºC at 760 mmHg
	Molecular Formula	C₁₆H₂₆N₄OS₂	Melting Point	N/A
	MSDS	N/A	Flash Point	272ºC

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

Density	1.24g/cm3
Boiling Point	526.1ºC at 760 mmHg
Molecular Formula	C₁₆H₂₆N₄OS₂
Molecular Weight	354.53400
Flash Point	272ºC
Exact Mass	354.15500
PSA	113.00000
LogP	4.17230
Index of Refraction	1.616

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XH6330000

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

CAS REGISTRY NUMBER :: 4776-11-8

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C16-H26-N4-O-S2

MOLECULAR WEIGHT :: 354.58

WISWESSER LINE NOTATION :: T56 BM DN FNYNVJ CS9 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 :: 18 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#04436

8-Nonylthio-2-thiotheophylline

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

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

1,2,3,7-Tetrahydro-1,3-dimethyl-8-(nonylthio)-2-thioxo-6H-purin-6-one

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Product Name: 1,3-dimethyl-8-nonylsulfanyl-2-sulfanylidene-7H-purin-6-one
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Purity: 98.0%
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