CAS 50-66-8|6-(Methylthio)purine

Introduction:Basic information about CAS 50-66-8|6-(Methylthio)purine, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
Common Name6-(Methylthio)purine
CAS Number50-66-8Molecular Weight166.20400
Density1.47 g/cm3Boiling Point470.2ºC at 760 mmHg
Molecular FormulaC6H6N4SMelting Point219-223 °C
MSDS/Flash Point/

Names

Name6-methylthiopurine
SynonymMore Synonyms

6-(Methylthio)purine BiologicalActivity

Description6-(Methylthio)purine (6-Methylmercaptopurine) is a small molecule that can be used for compound synthesis[1].
Related CatalogResearch Areas >>OthersSignaling Pathways >>Others >>Others
References

[1]. Sugimura H, Takei H. Synthesis of 6-alkylpurine derivatives by nickel-complex-catalyzed coupling reaction of 6-(methylthio) purine derivatives with Grignard reagents. Bulletin of the Chemical Society of Japan, 1985, 58(2): 664-666.

Chemical & Physical Properties

Density1.47 g/cm3
Boiling Point470.2ºC at 760 mmHg
Melting Point219-223 °C
Molecular FormulaC6H6N4S
Molecular Weight166.20400
Exact Mass166.03100
PSA79.76000
LogP1.07480
Index of Refraction1.806
InChIKeyUIJIQXGRFSPYQW-UHFFFAOYSA-N
SMILESCSc1ncnc2nc[nH]c12
Storage condition2-8°C

Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
UO8976000
CHEMICAL NAME :
Purine, 6-(methylthio)-
CAS REGISTRY NUMBER :
50-66-8
LAST UPDATED :
199709
DATA ITEMS CITED :
2
MOLECULAR FORMULA :
C6-H6-N4-S
MOLECULAR WEIGHT :
166.22
WISWESSER LINE NOTATION :
T56 BM DN FN HNJ IS1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LD50 - Lethal dose, 50 percent kill
ROUTE OF EXPOSURE :
Parenteral
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
115 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
JPMSAE Journal of Pharmaceutical Sciences. (American Pharmaceutical Assoc., 2215 Constitution Ave., NW, Washington, DC 20037) V.50- 1961- Volume(issue)/page/year: 71,618,1982
TYPE OF TEST :
LD10 - Lethal Dose
ROUTE OF EXPOSURE :
Unreported
SPECIES OBSERVED :
Rodent - mouse
DOSE/DURATION :
94 mg/kg
TOXIC EFFECTS :
Gastrointestinal - other changes
REFERENCE :
PMDCAY Progress in Medical Chemistry. (Elsevier Science Pub. Co., Inc., 52 Vanderbilt Ave., New York, NY 10017) V.1- 1961- Volume(issue)/page/year: 7,69,1970

Safety Information

Hazard CodesXi
Safety PhrasesS24/25
RTECSUO8976000
HS Code2933990090

Customs

HS Code2933990090
Summary2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Synonyms

6-methylsulfanyl-7H-purine
4-(METHYLTHIO)-1H-PYRAZOLO(3,4-D)PYRIMIDINE
6-(Methylthio)purine
EINECS 200-057-3
6-Methylmercaptopurine
MFCD00005576
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