2H-Purin-2-one,8-(butylthio)-1,3,6,9-tetrahydro-1,3-dimethyl-6-thioxo-
Names
[ CAS No. ]:
6493-29-4
[ Name ]:
2H-Purin-2-one,8-(butylthio)-1,3,6,9-tetrahydro-1,3-dimethyl-6-thioxo-
[Synonym ]:
8-n-Butylthio-6-thiotheophyllin
8-n-Butylthio-6-thiotheophylline
8-butylsulfanyl-1,3-dimethyl-6-thioxo-1,3,6,7(9)-tetrahydro-purin-2-one
6-Thio-8-N-butylthiotheophylline
Theophylline,8-butylthio-6-thio
Uric acid,8-butylthio-1,3-dimethyl-6-thio
Chemical & Physical Properties
[ Density]:
1.39g/cm3
[ Boiling Point ]:
481ºC at 760mmHg
[ Molecular Formula ]:
C11H16N4OS2
[ Molecular Weight ]:
284.40100
[ Flash Point ]:
244.7ºC
[ Exact Mass ]:
284.07700
[ PSA ]:
113.00000
[ LogP ]:
2.22180
[ Index of Refraction ]:
1.674
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- XH5058000
- CHEMICAL NAME :
- Theophylline, 8-butylthio-6-thio-
- CAS REGISTRY NUMBER :
- 6493-29-4
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C11-H16-N4-O-S2
- MOLECULAR WEIGHT :
- 284.43
- WISWESSER LINE NOTATION :
- T56 BM DN FNVNYJ CS4 F1 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 :
- 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#04424
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%