6-Thio-(8-ethylthio)theophylline

Modify Date: 2024-01-27 14:38:44

6-Thio-(8-ethylthio)theophylline Structure
6-Thio-(8-ethylthio)theophylline structure
Common Name 6-Thio-(8-ethylthio)theophylline
CAS Number 4791-35-9 Molecular Weight 256.34800
Density 1.49g/cm3 Boiling Point 467.6ºC at 760 mmHg
Molecular Formula C9H12N4OS2 Melting Point N/A
MSDS N/A Flash Point 236.6ºC

 Names

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

 Chemical & Physical Properties

Density 1.49g/cm3
Boiling Point 467.6ºC at 760 mmHg
Molecular Formula C9H12N4OS2
Molecular Weight 256.34800
Flash Point 236.6ºC
Exact Mass 256.04500
PSA 113.00000
LogP 1.44160
Index of Refraction 1.715

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
XH5623000
CHEMICAL NAME :
Theophylline, 8-ethylthio-6-thio-
CAS REGISTRY NUMBER :
4791-35-9
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C9-H12-N4-O-S2
MOLECULAR WEIGHT :
256.37
WISWESSER LINE NOTATION :
T56 BM DN FNVNYJ CS2 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#04421

 Synonyms

Uric acid,1,3-dimethyl-8-ethylthio-6-thio
8-ethylsulfanyl-1,3-dimethyl-6-thioxo-1,3,6,7(9)-tetrahydro-purin-2-one
6-Thio-(8-ethylthio)theophylline
8-Ethylthio-6-thiotheophyllin
Theophylline,8-ethylthio-6-thio