1,3-dimethyl-8-nonylsulfanyl-2-sulfanylidene-7H-purin-6-one
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Names
[ CAS No. ]:
4776-11-8
[ Name ]:
1,3-dimethyl-8-nonylsulfanyl-2-sulfanylidene-7H-purin-6-one
[Synonym ]:
8-Nonylthio-2-thiotheophylline
3,7-Dihydro-1,3-dimethyl-8-(nonylthio)-2-thioxo-1H-purin-6(2H)-one
1,3-dimethyl-8-nonylsulfanyl-2-thioxo-1,2,3,7(9)-tetrahydro-purin-6-one
1,2,3,7-Tetrahydro-1,3-dimethyl-8-(nonylthio)-2-thioxo-6H-purin-6-one
Chemical & Physical Properties
[ Density]:
1.24g/cm3
[ Boiling Point ]:
526.1ºC at 760 mmHg
[ Molecular Formula ]:
C16H26N4OS2
[ Molecular Weight ]:
354.53400
[ Flash Point ]:
272ºC
[ Exact Mass ]:
354.15500
[ PSA ]:
113.00000
[ LogP ]:
4.17230
[ Index of Refraction ]:
1.616
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- XH6330000
- CHEMICAL NAME :
- Theophylline, 8-nonylthio-2-thio-
- CAS REGISTRY NUMBER :
- 4776-11-8
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C16-H26-N4-O-S2
- MOLECULAR WEIGHT :
- 354.58
- WISWESSER LINE NOTATION :
- T56 BM DN FNYNVJ CS9 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 :
- 18 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#04436