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Product Name: Uric acid, 1,3-dimethyl-8-hexylthio-6-thio-
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4791-38-2

4791-38-2 structure

4791-38-2 structure

Name: Uric acid, 1,3-dimethyl-8-hexylthio-6-thio-
Chemical Name: 8-hexylsulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one
CAS Number: 4791-38-2
Molecular Formula: C₁₃H₂₀N₄OS₂
Molecular Weight: 312.45400
Create Date: 2017-10-10 20:10:08
Modify Date: 2025-08-26 17:57:42

Name	8-hexylsulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one
Synonyms	8-n-Hexylthio-6-thiotheophyllin Uric acid,1,3-dimethyl-8-hexylthio-6-thio

Density	1.32g/cm3
Boiling Point	497.9ºC at 760 mmHg
Molecular Formula	C₁₃H₂₀N₄OS₂
Molecular Weight	312.45400
Flash Point	254.9ºC
Exact Mass	312.10800
PSA	113.00000
LogP	3.00200
Index of Refraction	1.646

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XH5720000

CHEMICAL NAME :: Theophylline, 8-hexylthio-6-thio-

CAS REGISTRY NUMBER :: 4791-38-2

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C13-H20-N4-O-S2

MOLECULAR WEIGHT :: 312.49

WISWESSER LINE NOTATION :: T56 BM DN FNVNYJ CS6 F1 H1 IUS

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#04426

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