6H-Purin-6-one,1,2,3,9-tetrahydro-1,3-dimethyl-2-thioxo-8-(undecylthio)-

Modify Date: 2025-10-07 11:51:19

6H-Purin-6-one,1,2,3,9-tetrahydro-1,3-dimethyl-2-thioxo-8-(undecylthio)- structure	Common Name	6H-Purin-6-one,1,2,3,9-tetrahydro-1,3-dimethyl-2-thioxo-8-(undecylthio)-
	CAS Number	6466-11-1	Molecular Weight	382.58700
	Density	1.2g/cm3	Boiling Point	545.9ºC at 760mmHg
	Molecular Formula	C₁₈H₃₀N₄OS₂	Melting Point	N/A
	MSDS	N/A	Flash Point	284ºC

Name	Uric acid, 1,3-dimethyl-2-thio-(8-undecylthio)

Density	1.2g/cm3
Boiling Point	545.9ºC at 760mmHg
Molecular Formula	C₁₈H₃₀N₄OS₂
Molecular Weight	382.58700
Flash Point	284ºC
Exact Mass	382.18600
PSA	113.00000
LogP	4.95250
Index of Refraction	1.602
InChIKey	AMIHARDZZIHHLH-UHFFFAOYSA-N
SMILES	CCCCCCCCCCCSc1nc2c([nH]1)c(=O)n(C)c(=S)n2C

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XH6747500

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

CAS REGISTRY NUMBER :: 6466-11-1

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C18-H30-N4-O-S2

MOLECULAR WEIGHT :: 382.64

WISWESSER LINE NOTATION :: T56 BM DN FNYNVJ CS11 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 :: 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#04451

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