2-Thio-8-(N-octylthio)theophylline

Modify Date: 2025-08-25 15:24:43

2-Thio-8-(N-octylthio)theophylline Structure
2-Thio-8-(N-octylthio)theophylline structure
 Common Name 2-Thio-8-(N-octylthio)theophylline
CAS Number 4951-42-2 Molecular Weight 340.50700
Density 1.26g/cm3 Boiling Point 516.5ºC at 760 mmHg
Molecular Formula C15H24N4OS2 Melting Point N/A
MSDS N/A Flash Point 266.1ºC

 Names

Name 1,3-dimethyl-8-octylsulfanyl-2-sulfanylidene-7H-purin-6-one
Synonym More Synonyms

 Chemical & Physical Properties

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

 Toxicological Information

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

 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
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