6-Thio-8-methylthiotheophylline
Names
[ CAS No. ]:
4791-34-8
[ Name ]:
6-Thio-8-methylthiotheophylline
[Synonym ]:
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
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