1H-Purine-2,6-dithione,8-(hexylthio)-3,9-dihydro-1,3-dimethyl-
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Names
[ CAS No. ]:
6466-22-4
[ Name ]:
1H-Purine-2,6-dithione,8-(hexylthio)-3,9-dihydro-1,3-dimethyl-
[Synonym ]:
Theophylline,2,6-dithio-8-hexylthio
Uric acid,1,3-dimethyl-2,6-dithio-8-hexylthio
2,6-Dithio-8-(N-hexylthio)theophylline
Theophylline,8-(hexylthio)dithio
Chemical & Physical Properties
[ Density]:
1.34g/cm3
[ Boiling Point ]:
502.9ºC at 760mmHg
[ Molecular Formula ]:
C13H20N4S3
[ Molecular Weight ]:
328.52000
[ Exact Mass ]:
328.08500
[ PSA ]:
128.02000
[ LogP ]:
4.37130
[ Index of Refraction ]:
1.683
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- XH5145000
- CHEMICAL NAME :
- Theophylline, 2,6-dithio-8-hexylthio-
- CAS REGISTRY NUMBER :
- 6466-22-4
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C13-H20-N4-S3
- MOLECULAR WEIGHT :
- 328.55
- WISWESSER LINE NOTATION :
- T56 BM DN FNYNYJ CS6 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 :
- 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#04449
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%