6-Thio-8-methylthiotheophylline

Modify Date: 2023-01-16 21:59:55

6-Thio-8-methylthiotheophylline Structure
6-Thio-8-methylthiotheophylline structure
Common Name 6-Thio-8-methylthiotheophylline
CAS Number 4791-34-8 Molecular Weight 242.32100
Density 1.56g/cm3 Boiling Point 465.1ºC at 760 mmHg
Molecular Formula C8H10N4OS2 Melting Point N/A
MSDS N/A Flash Point 235.1ºC

 Names

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

 Chemical & Physical Properties

Density 1.56g/cm3
Boiling Point 465.1ºC at 760 mmHg
Molecular Formula C8H10N4OS2
Molecular Weight 242.32100
Flash Point 235.1ºC
Exact Mass 242.03000
PSA 113.00000
LogP 1.05150
Index of Refraction 1.743

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XH6143000
CHEMICAL NAME :
Theophylline, 8-methylthio-6-thio-
CAS REGISTRY NUMBER :
4791-34-8
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C8-H10-N4-O-S2
MOLECULAR WEIGHT :
242.34
WISWESSER LINE NOTATION :
T56 BM DN FNVNYJ CS1 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 :
100 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#04420

 Synonyms

8-Methylthio-6-thiotheophyllin
6-Thio-8-methylthiotheophylline
Theophylline,8-methylthio-6-thio
8-Methylthio-6-thiotheophylline
Uric acid,1,3-dimethyl-8-methylthio-6-thio