Introduction：Basic information about CAS 2487-40-3|2-Thioxanthine, including its chemical name, molecular formula, synonyms, physicochemical properties, and safety information, etc.
| Common Name | 2-Thioxanthine |
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| CAS Number | 2487-40-3 | Molecular Weight | 168.17600 |
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| Density | 1.78g/cm3 | Boiling Point | / |
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| Molecular Formula | C5H4N4OS | Melting Point | >300°C |
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| MSDS | / | Flash Point | / |
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Names
| Name | 2-Thioxanthine |
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| Synonym | More Synonyms |
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Chemical & Physical Properties
| Density | 1.78g/cm3 |
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| Melting Point | >300°C |
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| Molecular Formula | C5H4N4OS |
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| Molecular Weight | 168.17600 |
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| Exact Mass | 168.01100 |
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| PSA | 109.42000 |
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| LogP | 0.30880 |
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| Index of Refraction | 2.019 |
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| InChIKey | XNHFAGRBSMMFKL-UHFFFAOYSA-N |
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| SMILES | O=c1[nH]c(=S)[nH]c2nc[nH]c12 |
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Toxicological Information
CHEMICAL IDENTIFICATION - RTECS NUMBER :
- UP0825000
- CHEMICAL NAME :
- 6H-Purin-6-one, 1,2,3,7-tetrahydro-2-thioxo-
- CAS REGISTRY NUMBER :
- 2487-40-3
- LAST UPDATED :
- 199701
- DATA ITEMS CITED :
- 2
- MOLECULAR FORMULA :
- C5-H4-N4-O-S
- MOLECULAR WEIGHT :
- 168.19
- WISWESSER LINE NOTATION :
- T56 BN DM FVMYMJ HUS
HEALTH HAZARD DATAACUTE TOXICITY DATA - TYPE OF TEST :
- LD50 - Lethal dose, 50 percent kill
- ROUTE OF EXPOSURE :
- Intraperitoneal
- SPECIES OBSERVED :
- Rodent - mouse
- DOSE/DURATION :
- 625 mg/kg
- TOXIC EFFECTS :
- Details of toxic effects not reported other than lethal dose value
- REFERENCE :
- NTIS** National Technical Information Service. (Springfield, VA 22161) Formerly U.S. Clearinghouse for Scientific & Technical Information. Volume(issue)/page/year: AD691-490
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Safety Information
| Risk Phrases | 36/37/38 |
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| Safety Phrases | S26-S37 |
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| RTECS | UP0825000 |
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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
| 2-thioxanthene |
| Xanthine,2-thio |
| 2-thioxo-1,2,3,7(9)-tetrahydro-purin-6-one |
| 2-Mercaptoxanthine |
| 2-thioxo-1,2,3,7-tetrahydro-purin-6-one |
| MFCD00031505 |
| 2-THIO-6-OXOPURINE |
| 6-hydroxypurine-2-thiol |
| 2-thio-xanthin |
| EINECS 219-636-7 |
| 2-Thioxo-2,3-dihydro-1H-purin-6(7H)-one |
| 2-THIO-6-OXYPURINE |
| 6-Hydroxy-2-mercaptopurine |
| 2-MERCAPTOHYPOXANTHINE |
| 2-Thioxo-1,2,3,7-tetrahydro-purin-6-on |
| 1,2,3,7-tetrahydro-2-thioxo-6H-purin-6-one |
