Theophylline, 8-pentylthio-2-thio-
Names
[ CAS No. ]:
4869-70-9
[ Name ]:
Theophylline, 8-pentylthio-2-thio-
[Synonym ]:
8-n-Pentylthio-2-thiotheophyllin
Theophylline,8-pentylthio-2-thio
Uric acid,1,3-dimethyl-8-pentylthio-2-thio
Chemical & Physical Properties
[ Density]:
1.35g/cm3
[ Boiling Point ]:
489.1ºC at 760 mmHg
[ Molecular Formula ]:
C12H18N4OS2
[ Molecular Weight ]:
298.42800
[ Flash Point ]:
249.6ºC
[ Exact Mass ]:
298.09200
[ PSA ]:
113.00000
[ LogP ]:
2.61190
[ Index of Refraction ]:
1.659
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- XH6486500
- CHEMICAL NAME :
- Theophylline, 8-pentylthio-2-thio-
- CAS REGISTRY NUMBER :
- 4869-70-9
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C12-H18-N4-O-S2
- MOLECULAR WEIGHT :
- 298.46
- WISWESSER LINE NOTATION :
- T56 BM DN FNYNVJ CS5 F1 GUS 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 :
- 56 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#04432