Shanghai Nianxing Industrial Co., Ltd
China
Product Name: Palmitic acid
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Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: 2-Thio-8-(N-octylthio)theophylline
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Purity: 98.0%
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4951-42-2

4951-42-2 structure

4951-42-2 structure

Name: 2-Thio-8-(N-octylthio)theophylline
Chemical Name: 1,3-dimethyl-8-octylsulfanyl-2-sulfanylidene-7H-purin-6-one
CAS Number: 4951-42-2
Molecular Formula: C₁₅H₂₄N₄OS₂
Molecular Weight: 340.50700
Create Date: 2016-08-26 23:10:27
Modify Date: 2025-08-25 15:24:43

Name	1,3-dimethyl-8-octylsulfanyl-2-sulfanylidene-7H-purin-6-one
Synonyms	Theophylline,8-octylthio-2-thio 2-Thio-8-(N-octylthio)theophylline 1,3-dimethyl-8-(octylsulfanyl)-2-thioxo-1,2,3,7-tetrahydro-6h-purin-6-one 8-n-Octylthio-2-thiotheophyllin 1,3-dimethyl-8-octylsulfanyl-2-thioxo-1,2,3,7(9)-tetrahydro-purin-6-one

Density	1.26g/cm3
Boiling Point	516.5ºC at 760 mmHg
Molecular Formula	C₁₅H₂₄N₄OS₂
Molecular Weight	340.50700
Flash Point	266.1ºC
Exact Mass	340.13900
PSA	113.00000
LogP	3.78220
Index of Refraction	1.625

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XH6380000

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

CAS REGISTRY NUMBER :: 4951-42-2

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C15-H24-N4-O-S2

MOLECULAR WEIGHT :: 340.55

WISWESSER LINE NOTATION :: T56 BM DN FNYNVJ CS8 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 :: 32 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#04435

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