| Identification | |
| Name: | 1H-Purine-2,6-dione,3,9-dihydro-1,3,9-trimethyl-8-[(phenylmethyl)thio]- |
| Synonyms: | Isocaffeine,8-(benzylthio)- (6CI); NSC 21002 |
| CAS: | 6315-62-4 |
| Molecular Formula: | C15H16 N4 O2 S |
| Molecular Weight: | 316.3781 |
| InChI: | InChI=1/C15H16N4O2S/c1-17-12-11(13(20)19(3)15(21)18(12)2)16-14(17)22-9-10-7-5-4-6-8-10/h4-8H,9H2,1-3H3 |
| Molecular Structure: |  |
| Properties | |
| Flash Point: | 275.8°C |
| Boiling Point: | 532.5°Cat760mmHg |
| Density: | 1.36g/cm3 |
| Refractive index: | 1.681 |
| Flash Point: | 275.8°C |
| Safety Data | |
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