Dayang Chem (Hangzhou) Co., Ltd.
China
Product Name: 8-heptylsulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one
Price: $Inquiry/100g $Inquiry/1kg $Inquiry/100kg $Inquiry/1000kg
Purity: 98.0%
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4791-39-3

4791-39-3 structure

4791-39-3 structure

Name: 8-heptylsulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one
Chemical Name: 8-heptylsulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one
CAS Number: 4791-39-3
Molecular Formula: C₁₄H₂₂N₄OS₂
Molecular Weight: 326.48100
Create Date: 2017-04-01 06:22:23
Modify Date: 2024-01-05 09:58:05

Name	8-heptylsulfanyl-1,3-dimethyl-6-sulfanylidene-7H-purin-2-one
Synonyms	Theophylline,8-heptylthio-6-thio 6-Thio-8-(N-heptylthio)theophylline 8-heptylsulfanyl-1,3-dimethyl-6-thioxo-1,3,6,7(9)-tetrahydro-purin-2-one 8-n-Heptylthio-6-thiotheophyllin Uric acid,1,3-dimethyl-8-heptylthio-6-thio

Density	1.29g/cm3
Boiling Point	507ºC at 760 mmHg
Molecular Formula	C₁₄H₂₂N₄OS₂
Molecular Weight	326.48100
Flash Point	260.4ºC
Exact Mass	326.12400
PSA	113.00000
LogP	3.39210
Index of Refraction	1.634

CHEMICAL IDENTIFICATION

RTECS NUMBER :: XH5638000

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

CAS REGISTRY NUMBER :: 4791-39-3

LAST UPDATED :: 199612

DATA ITEMS CITED :: 1

MOLECULAR FORMULA :: C14-H22-N4-O-S2

MOLECULAR WEIGHT :: 326.52

WISWESSER LINE NOTATION :: T56 BM DN FNVNYJ CS7 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 :: 180 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#04427