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CAS#: 13182-58-6 Product: 6-Thiocaffeine No suppilers available for the product. |
| Name | 6-Thiocaffeine |
|---|---|
| Synonyms | 1,3,7-Trimethyl-6-Thioxo-Purin-2-One; 1,3,7-Trimethyl-6-Thioxo-2-Purinone; 1,3,7-Trimethyl-6-Sulfanylidene-Purin-2-One |
| Molecular Structure |  |
| Molecular Formula | C8H10N4OS |
| Molecular Weight | 210.25 |
| CAS Registry Number | 13182-58-6 |
| SMILES | C2=NC1=C(C(=S)N(C(N1C)=O)C)[N]2C |
| InChI | 1S/C8H10N4OS/c1-10-4-9-6-5(10)7(14)12(3)8(13)11(6)2/h4H,1-3H3 |
| InChIKey | PYUDRFSIKNBDQS-UHFFFAOYSA-N |
| Density | 1.452g/cm3 (Cal.) |
|---|---|
| Boiling point | 416.643°C at 760 mmHg (Cal.) |
| Flash point | 205.779°C (Cal.) |
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