Theophylline, 8- (heptylthio)-2-thio-
Suppliers
Names
[ CAS No. ]:
4776-10-7
[ Name ]:
Theophylline, 8- (heptylthio)-2-thio-
[Synonym ]:
8-(Heptylthio)-2-thiotheophylline
8-n-Heptylthio-2-thiotheophyllin
1,3-Dimethyl-2,7-dihydro-8-(heptylthio)-2-thioxo-1H-purin-6(3H)-one
8-heptylsulfanyl-1,3-dimethyl-2-thioxo-1,2,3,7(9)-tetrahydro-purin-6-one
3,7-Dihydro-1,3-dimethyl-8-(heptylthio)-2-thioxo-1H-purin-6(2H)-one
Chemical & Physical Properties
[ Density]:
1.29g/cm3
[ Boiling Point ]:
507ºC at 760 mmHg
[ Molecular Formula ]:
C14H22N4OS2
[ Molecular Weight ]:
326.48100
[ Flash Point ]:
260.4ºC
[ Exact Mass ]:
326.12400
[ PSA ]:
113.00000
[ LogP ]:
3.39210
[ Index of Refraction ]:
1.634
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- XH5637000
- CHEMICAL NAME :
- Theophylline, 8-heptylthio-2-thio-
- CAS REGISTRY NUMBER :
- 4776-10-7
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C14-H22-N4-O-S2
- MOLECULAR WEIGHT :
- 326.52
- WISWESSER LINE NOTATION :
- T56 BM DN FNYNVJ CS7 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 :
- 180 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#04434