Shanghai Nianxing Industrial Co., Ltd
China
Product Name: Palmitic acid
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Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: Theophylline, 8-pentylthio-2-thio-
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
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4869-70-9

4869-70-9 structure

4869-70-9 structure

Name: Theophylline, 8-pentylthio-2-thio-
Chemical Name: 1,3-dimethyl-8-pentylsulfanyl-2-sulfanylidene-7H-purin-6-one
CAS Number: 4869-70-9
Molecular Formula: C₁₂H₁₈N₄OS₂
Molecular Weight: 298.42800
Create Date: 2016-05-16 22:01:32
Modify Date: 2025-10-02 17:14:44

Name	1,3-dimethyl-8-pentylsulfanyl-2-sulfanylidene-7H-purin-6-one
Synonyms	8-n-Pentylthio-2-thiotheophyllin Theophylline,8-pentylthio-2-thio Uric acid,1,3-dimethyl-8-pentylthio-2-thio

Density	1.35g/cm3
Boiling Point	489.1ºC at 760 mmHg
Molecular Formula	C₁₂H₁₈N₄OS₂
Molecular Weight	298.42800
Flash Point	249.6ºC
Exact Mass	298.09200
PSA	113.00000
LogP	2.61190
Index of Refraction	1.659

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XH6486500

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

CAS REGISTRY NUMBER :: 4869-70-9

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C12-H18-N4-O-S2

MOLECULAR WEIGHT :: 298.46

WISWESSER LINE NOTATION :: T56 BM DN FNYNVJ CS5 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#04432

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