8-Mercaptocaffeine

Modify Date: 2024-01-17 23:42:31

8-Mercaptocaffeine Structure
8-Mercaptocaffeine structure
Common Name 8-Mercaptocaffeine
CAS Number 1790-74-5 Molecular Weight 226.25600
Density 1.57g/cm3 Boiling Point 300.6ºC at 760 mmHg
Molecular Formula C8H10N4O2S Melting Point N/A
MSDS N/A Flash Point 135.6ºC

 Names

Name 1,3,7-trimethyl-8-sulfanylidene-9H-purine-2,6-dione
Synonym More Synonyms

 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

 Synonyms

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
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