6-Thio-8-(N-octylthio)theophylline
Names
[ CAS No. ]:
4791-40-6
[ Name ]:
6-Thio-8-(N-octylthio)theophylline
[Synonym ]:
Theophylline,(8-octylthio)-6-thio
Uric acid,1,3-dimethyl-8-octylthio-6-thio
8-n-Octylthio-6-thiotheophyllin
1,3-dimethyl-8-octylsulfanyl-6-thioxo-1,3,6,7(9)-tetrahydro-purin-2-one
6-Thio-8-n-octylthiotheophylline
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 :
- XH6385000
- CHEMICAL NAME :
- Theophylline, 8-octylthio-6-thio-
- CAS REGISTRY NUMBER :
- 4791-40-6
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C15-H24-N4-O-S2
- MOLECULAR WEIGHT :
- 340.55
- WISWESSER LINE NOTATION :
- T56 BM DN FNVNYJ CS8 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#04429