6-thiocaffeine
Suppliers
Names
[ CAS No. ]:
13182-58-6
[ Name ]:
6-thiocaffeine
[Synonym ]:
1,3,7-trimethyl-6-thioxo-1,3,6,7-tetrahydro-purin-2-one
M &1,3,7-Trimethyl-6-thioxo-1,3,6,7-tetrahydro-purin-2-on
CAFFEINE,6-THIO
7-methyl-6-thioxanthine
2H-Purin-2-one,1,3,6,7-tetrahydro-1,3,7-trimethyl-6-thioxo
B 6227
1,3,7-Trimethyl-2-oxo-6-thioxo-1,2,3,6-tetrahydro-7H-purin
6-Thiocaffeine
Chemical & Physical Properties
[ Density]:
1.45g/cm3
[ Boiling Point ]:
416.6ºC at 760mmHg
[ Molecular Formula ]:
C8H10N4OS
[ Molecular Weight ]:
210.25600
[ Flash Point ]:
205.8ºC
[ Exact Mass ]:
210.05800
[ PSA ]:
76.84000
[ LogP ]:
0.34000
[ Vapour Pressure ]:
3.76E-07mmHg at 25°C
[ Index of Refraction ]:
1.714
Toxicological Information
CHEMICAL IDENTIFICATION
- RTECS NUMBER :
- EV6640100
- CHEMICAL NAME :
- Caffeine, 6-thio-
- CAS REGISTRY NUMBER :
- 13182-58-6
- BEILSTEIN REFERENCE NO. :
- 0205182
- LAST UPDATED :
- 199612
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C8-H10-N4-O-S
- MOLECULAR WEIGHT :
- 210.28
HEALTH HAZARD DATA
ACUTE TOXICITY DATA
- TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Oral
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 960 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- BJPCAL British Journal of Pharmacology and Chemotherapy. (London, UK) V.1-33, 1946-68. For publisher information, see BJPCBM. Volume(issue)/page/year: 17,196,1961