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Product Name: Palmitic acid
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Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: Theophylline, 8-nonylthio-6-thio-
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4791-41-7

4791-41-7 structure

4791-41-7 structure

Name: Theophylline, 8-nonylthio-6-thio-
Chemical Name: 1,3-dimethyl-8-nonylsulfanyl-6-sulfanylidene-7H-purin-2-one
CAS Number: 4791-41-7
Molecular Formula: C₁₆H₂₆N₄OS₂
Molecular Weight: 354.53400
Create Date: 2017-11-24 17:54:12
Modify Date: 2025-10-07 22:46:49

Name	1,3-dimethyl-8-nonylsulfanyl-6-sulfanylidene-7H-purin-2-one
Synonyms	Uric acid,1,3-dimethyl-8-nonylthio-6-thio

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 :: XH6350000

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

CAS REGISTRY NUMBER :: 4791-41-7

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

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

MOLECULAR WEIGHT :: 354.58

WISWESSER LINE NOTATION :: T56 BM DN FNVNYJ CS9 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#04430

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