Theophylline, 8-(decylthio)-
Names
[ CAS No. ]:
25837-29-0
[ Name ]:
Theophylline, 8-(decylthio)-
[Synonym ]:
8-(Decylthio)theophylline
1h-purine-2,6-dione,8-(decylthio)-3,7-dihydro-1,3-dimethyl
Theophylline,8-(decylthio)
Chemical & Physical Properties
[ Density]:
1.2g/cm3
[ Boiling Point ]:
530.2ºC at 760 mmHg
[ Molecular Formula ]:
C17H28N4O2S
[ Molecular Weight ]:
352.49500
[ Flash Point ]:
274.5ºC
[ Exact Mass ]:
352.19300
[ PSA ]:
97.98000
[ LogP ]:
3.19310
[ Vapour Pressure ]:
2.51E-11mmHg at 25°C
[ Index of Refraction ]:
1.578
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- XH5093850
- CHEMICAL NAME :
- Theophylline, 8-(decylthio)-
- CAS REGISTRY NUMBER :
- 25837-29-0
- LAST UPDATED :
- 198909
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C17-H28-N4-O2-S
- MOLECULAR WEIGHT :
- 352.55
- WISWESSER LINE NOTATION :
- T56 BM DN FNVNVJ CS10 F1 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 :
- 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#02441