Theophylline, 8-mercapto-2-thio-
Names
[ CAS No. ]:
1784-68-5
[ Name ]:
Theophylline, 8-mercapto-2-thio-
[Synonym ]:
8-Mercapto-thiotheophyllin
2-Thio-8-mercaptotheophylline
8-mercapto-2-thiotheophylline
Theophylline,8-mercapto-2-thio
1,3-dimethyl-2,8-dithioxo-1,2,3,7,8,9-hexahydro-purin-6-one
Chemical & Physical Properties
[ Density]:
1.67g/cm3
[ Boiling Point ]:
306.7ºC at 760 mmHg
[ Molecular Formula ]:
C7H8N4OS2
[ Molecular Weight ]:
228.29500
[ Flash Point ]:
139.3ºC
[ Exact Mass ]:
228.01400
[ PSA ]:
122.69000
[ LogP ]:
0.99220
[ Vapour Pressure ]:
0.000761mmHg at 25°C
[ Index of Refraction ]:
1.816
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- XH5922500
- CHEMICAL NAME :
- Theophylline, 8-mercapto-2-thio-
- CAS REGISTRY NUMBER :
- 1784-68-5
- LAST UPDATED :
- 197905
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C7-H8-N4-O-S2
- MOLECULAR WEIGHT :
- 228.31
- WISWESSER LINE NOTATION :
- T56 BM DN FNYNVJ CSH 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#04416
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%