8-Mercaptocaffeine
Names
[ CAS No. ]:
1790-74-5
[ Name ]:
8-Mercaptocaffeine
[Synonym ]:
1,3,7-Trimethyl-8-thio-harnsaeure
1,3,7-Trimethyl-8-pyrrolidino-3,7-dihydro-purin-2,6-dion
1,3,7-trimethyl-8-pyrrolidino-3,7-dihydro-purine-2,6-dione
1,3,7-trimethyl-8-thio-uric acid
1,3,7-Trimethyl-8-pyrrolidin-1-yl-3,7-dihydro-purine-2,6-dione
Chemical & Physical Properties
[ Density]:
1.57g/cm3
[ Boiling Point ]:
300.6ºC at 760 mmHg
[ Molecular Formula ]:
C8H10N4O2S
[ Molecular Weight ]:
226.25600
[ Flash Point ]:
135.6ºC
[ Exact Mass ]:
226.05200
[ PSA ]:
96.81000
[ Vapour Pressure ]:
0.00111mmHg at 25°C
[ Index of Refraction ]:
1.726
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- EV6572000
- CHEMICAL NAME :
- Caffeine, 8-mercapto-
- CAS REGISTRY NUMBER :
- 1790-74-5
- LAST UPDATED :
- 198909
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C8-H10-N4-O2-S
- MOLECULAR WEIGHT :
- 226.28
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 1272 mg/kg
- TOXIC EFFECTS :
- Behavioral - excitement Behavioral - muscle contraction or spasticity Lungs, Thorax, or Respiration - dyspnea
- REFERENCE :
- FATOAO Farmakologiya i Toksikologiya (Moscow). For English translation, see PHTXA6 and RPTOAN. (V/O Mezhdunarodnaya Kniga, 113095 Moscow, USSR) V.2- 1939- Volume(issue)/page/year: 23,118,1960