Introduction：Basic information about CAS 5437-25-2|9H-purine-2,6-dithiol, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 9H-purine-2,6-dithiol |
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| CAS Number | 5437-25-2 | Molecular Weight | 184.24 |
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| Density | 1.8±0.1 g/cm3 | Boiling Point | 496.2±37.0 °C at 760 mmHg |
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| Molecular Formula | C5H4N4S2 | Melting Point | >350 °C(lit.) |
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| MSDS | / | Flash Point | 253.9±26.5 °C |
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Names
| Name | 2,6-Dithiopurine |
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| Synonym | More Synonyms |
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9H-purine-2,6-dithiol BiologicalActivity
| Description | 2,6-Dithiopurine (2,6-Dimercaptopurine) is a nucleophilic scavenger for electrophilic carcinogens. 2,6-Dithiopurine abolishes both DNA adduct formation and the initiation of carcinogenesis[1]. |
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| Related Catalog | Research Areas >>CancerSignaling Pathways >>Others >>Others |
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| References | [1]. Stephen Boulware, et al. 2,6-Dithiopurine, a nucleophilic scavenger, protects against mutagenesis in mouse skin treated in vivo with 2-(chloroethyl) ethyl sulfide, a mustard gas analog. Toxicol Appl Pharmacol. 2012 Sep 1;263(2):203-9. |
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Chemical & Physical Properties
| Density | 1.8±0.1 g/cm3 |
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| Boiling Point | 496.2±37.0 °C at 760 mmHg |
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| Melting Point | >350 °C(lit.) |
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| Molecular Formula | C5H4N4S2 |
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| Molecular Weight | 184.24 |
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| Flash Point | 253.9±26.5 °C |
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| Exact Mass | 183.987732 |
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| PSA | 132.06000 |
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| LogP | -0.60 |
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| Vapour Pressure | 0.0±1.3 mmHg at 25°C |
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| Index of Refraction | 1.890 |
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| InChIKey | VQPMXSMUUILNFZ-UHFFFAOYSA-N |
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| SMILES | S=c1[nH]c(=S)c2[nH]cnc2[nH]1 |
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| Storage condition | −20°C |
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| Water Solubility | slightly soluble |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- UO8475000
- CHEMICAL NAME :
- Purine-2,6-dithiol
- CAS REGISTRY NUMBER :
- 5437-25-2
- LAST UPDATED :
- 199712
- DATA ITEMS CITED :
- 1
- MOLECULAR FORMULA :
- C5-H4-N4-S2
- MOLECULAR WEIGHT :
- 184.25
- WISWESSER LINE NOTATION :
- T56 BM DN FN HNJ GSH ISH
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intravenous
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 180 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- CSLNX* U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. (Aberdeen Proving Ground, MD 21010) Volume(issue)/page/year: NX#03045
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Safety Information
| Safety Phrases | S24/25 |
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| WGK Germany | 3 |
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| RTECS | UO8475000 |
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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
| MFCD00022644 |
| 9H-purine-2,6-dithiol |
| EINECS 226-608-8 |
| 1H-Purine-2,6-dithione, 3,9-dihydro- |
| 2H-Purine-2-thione, 1,9-dihydro-6-mercapto- |
| 3,7-dihydropurine-2,6-dithione |
| 1H-purine-2,6-dithione, 3,7-dihydro- |
| 6-Sulfanyl-1,9-dihydro-2H-purine-2-thione |
| 3,7-Dihydro-1H-purine-2,6-dithione |
