9H-Purine-9-aceticacid, 1,6-dihydro-6-thioxo-, 4-nitrophenyl ester
Modify Date: 2025-09-25 12:33:54
9H-Purine-9-aceticacid, 1,6-dihydro-6-thioxo-, 4-nitrophenyl ester structure
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Common Name | 9H-Purine-9-aceticacid, 1,6-dihydro-6-thioxo-, 4-nitrophenyl ester | ||
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| CAS Number | 4323-09-5 | Molecular Weight | 331.30700 | |
| Density | 1.66g/cm3 | Boiling Point | 652.6ºC at 760 mmHg | |
| Molecular Formula | C13H9N5O4S | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 348.5ºC | |
| Name | (4-nitrophenyl) 2-(6-sulfanylidene-3H-purin-9-yl)acetate |
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| Synonym | More Synonyms |
| Density | 1.66g/cm3 |
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| Boiling Point | 652.6ºC at 760 mmHg |
| Molecular Formula | C13H9N5O4S |
| Molecular Weight | 331.30700 |
| Flash Point | 348.5ºC |
| Exact Mass | 331.03800 |
| PSA | 150.71000 |
| LogP | 2.52590 |
| Index of Refraction | 1.775 |
| InChIKey | KEPAHCCTMUUWLN-UHFFFAOYSA-N |
| SMILES | O=C(Cn1cnc2c(=S)nc[nH]c21)Oc1ccc([N+](=O)[O-])cc1 |
| HS Code | 2933990090 |
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| 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% |
| 6-Mercapto-9H-purin-9-ylacetat-p-nitrophenylester |