6H-Purin-6-one,1,2,3,9-tetrahydro-1,3-dimethyl-2-thioxo-8-(undecylthio)-
Names
[ CAS No. ]:
6466-11-1
[ Name ]:
6H-Purin-6-one,1,2,3,9-tetrahydro-1,3-dimethyl-2-thioxo-8-(undecylthio)-
Chemical & Physical Properties
[ Density]:
1.2g/cm3
[ Boiling Point ]:
545.9ºC at 760mmHg
[ Molecular Formula ]:
C18H30N4OS2
[ Molecular Weight ]:
382.58700
[ Flash Point ]:
284ºC
[ Exact Mass ]:
382.18600
[ PSA ]:
113.00000
[ LogP ]:
4.95250
[ Index of Refraction ]:
1.602
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- XH6747500
- CHEMICAL NAME :
- Theophylline, 2-thio-8-undecylthio-
- CAS REGISTRY NUMBER :
- 6466-11-1
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C18-H30-N4-O-S2
- MOLECULAR WEIGHT :
- 382.64
- WISWESSER LINE NOTATION :
- T56 BM DN FNYNVJ CS11 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#04451