1H-Purine-2,6-dithione,8-(heptylthio)-3,9-dihydro-1,3-dimethyl-
Names
[ CAS No. ]:
6466-23-5
[ Name ]:
1H-Purine-2,6-dithione,8-(heptylthio)-3,9-dihydro-1,3-dimethyl-
[Synonym ]:
Theophylline,2,6-dithio-8-heptylthio
Theophylline,8-(heptylthio)dithio
2,6-Dithio-8-(N-heptylthio)theophylline
Uric acid,1,3-dimethyl-2,6-dithio-8-heptylthio
Chemical & Physical Properties
[ Density]:
1.31g/cm3
[ Boiling Point ]:
512.3ºC at 760 mmHg
[ Molecular Formula ]:
C14H22N4S3
[ Molecular Weight ]:
342.54600
[ Flash Point ]:
263.7ºC
[ Exact Mass ]:
342.10100
[ PSA ]:
128.02000
[ LogP ]:
4.76140
[ Index of Refraction ]:
1.67
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- XH5140000
- CHEMICAL NAME :
- Theophylline, 2,6-dithio-8-heptylthio-
- CAS REGISTRY NUMBER :
- 6466-23-5
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C14-H22-N4-S3
- MOLECULAR WEIGHT :
- 342.58
- WISWESSER LINE NOTATION :
- T56 BM DN FNYNYJ CS7 F1 GUS H1 IUS
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#04450
Safety Information
[ HS Code ]:
2933990090
Customs
[ HS Code ]: 2933990090
[ Summary ]:
2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%