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 Name | 6-(Methylthio)purine |
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| CAS Number | 50-66-8 | Molecular Weight | 166.20400 |
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| Density | 1.47 g/cm3 | Boiling Point | 470.2ºC at 760 mmHg |
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| Molecular Formula | C6H6N4S | Melting Point | 219-223 °C |
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| MSDS | / | Flash Point | / |
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Names
| Name | 6-methylthiopurine |
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| Synonym | More Synonyms |
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6-(Methylthio)purine BiologicalActivity
| Description | 6-(Methylthio)purine (6-Methylmercaptopurine) is a small molecule that can be used for compound synthesis[1]. |
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| Related Catalog | Research Areas >>OthersSignaling Pathways >>Others >>Others |
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| 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. |
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Chemical & Physical Properties
| Density | 1.47 g/cm3 |
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| Boiling Point | 470.2ºC at 760 mmHg |
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| Melting Point | 219-223 °C |
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| Molecular Formula | C6H6N4S |
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| Molecular Weight | 166.20400 |
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| Exact Mass | 166.03100 |
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| PSA | 79.76000 |
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| LogP | 1.07480 |
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| Index of Refraction | 1.806 |
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| InChIKey | UIJIQXGRFSPYQW-UHFFFAOYSA-N |
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| SMILES | CSc1ncnc2nc[nH]c12 |
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| Storage condition | 2-8°C |
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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 DATAACUTE 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
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Safety Information
| Hazard Codes | Xi |
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| Safety Phrases | S24/25 |
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| RTECS | UO8976000 |
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| HS Code | 2933990090 |
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Customs
| HS Code | 2933990090 |
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| 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% |
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Synonyms
| 6-methylsulfanyl-7H-purine |
| 4-(METHYLTHIO)-1H-PYRAZOLO(3,4-D)PYRIMIDINE |
| 6-(Methylthio)purine |
| EINECS 200-057-3 |
| 6-Methylmercaptopurine |
| MFCD00005576 |