Shanghai Nianxing Industrial Co., Ltd
China
Product Name: Palmitic acid
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Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: Theophylline, (8-propylthio)-2-thio-
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Purity: 98.0%
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4791-36-0

4791-36-0 structure

4791-36-0 structure

Name: Theophylline, (8-propylthio)-2-thio-
Chemical Name: 1,3-dimethyl-8-propylsulfanyl-2-sulfanylidene-7H-purin-6-one
CAS Number: 4791-36-0
Molecular Formula: C₁₀H₁₄N₄OS₂
Molecular Weight: 270.37400
Create Date: 2016-05-13 19:14:53
Modify Date: 2025-11-04 06:55:25

Name	1,3-dimethyl-8-propylsulfanyl-2-sulfanylidene-7H-purin-6-one
Synonyms	2-Thio-(8-propylthio)theophylline Uric acid,1,3-dimethyl-8-propylthio-2-thio 1,3-dimethyl-8-(propylsulfanyl)-2-thioxo-1,2,3,7-tetrahydro-6h-purin-6-one 1,3-dimethyl-8-propylsulfanyl-2-thioxo-1,2,3,7(9)-tetrahydro-purin-6-one 8-n-Propylthio-2-thiotheophyllin Theophylline,8-propylthio-2-thio

Density	1.44g/cm3
Boiling Point	473.7ºC at 760 mmHg
Molecular Formula	C₁₀H₁₄N₄OS₂
Molecular Weight	270.37400
Flash Point	240.3ºC
Exact Mass	270.06100
PSA	113.00000
LogP	1.83170
Index of Refraction	1.693

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XH6493300

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

CAS REGISTRY NUMBER :: 4791-36-0

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C10-H14-N4-O-S2

MOLECULAR WEIGHT :: 270.40

WISWESSER LINE NOTATION :: T56 BM DN FNYNVJ CS3 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 :: 14 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#04418

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