1,3,7-trimethyl-8-sulfanylidene-7,9-dihydropurin-7-ium-2,6-dione,chloride
Modify Date: 2025-10-12 00:24:37
1,3,7-trimethyl-8-sulfanylidene-7,9-dihydropurin-7-ium-2,6-dione,chloride structure
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Common Name | 1,3,7-trimethyl-8-sulfanylidene-7,9-dihydropurin-7-ium-2,6-dione,chloride | ||
|---|---|---|---|---|
| CAS Number | 56223-58-6 | Molecular Weight | 262.71700 | |
| Density | N/A | Boiling Point | 300.6ºC at 760 mmHg | |
| Molecular Formula | C8H11ClN4O2S | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 135.6ºC | |
| Name | 1,3,7-trimethyl-8-sulfanylidene-7,9-dihydropurin-7-ium-2,6-dione,chloride |
|---|---|
| Synonym | More Synonyms |
| Boiling Point | 300.6ºC at 760 mmHg |
|---|---|
| Molecular Formula | C8H11ClN4O2S |
| Molecular Weight | 262.71700 |
| Flash Point | 135.6ºC |
| Exact Mass | 262.02900 |
| PSA | 100.62000 |
| LogP | 0.06140 |
| InChIKey | VJTLRONPTOKCQJ-UHFFFAOYSA-N |
| SMILES | Cn1c2c(c(=O)n(C)c1=O)[NH+](C)C(=S)N2.[Cl-] |
| 1,3,7-trimethyl-8-sulfanylidene-7,9-dihydropurin-7-ium-2,6-dione chloride |
| 8-Mercaptocaffeine hydrochloride |
| CAFFEINE,8-MERCAPTO-,HYDROCHLORIDE |
| 1H-Purine-2,6-dione,3,7-dihydro-8-mercapto-1,3,7-trimethyl-,monohydrochloride |