Identification |
Name: | 1H-Purine-2,6-dione,3,7-dihydro-8-(isothiocyanatomethyl)-1,3-dimethyl-7-(phenylmethyl)- |
Synonyms: | Isothiocyanicacid, (7-benzyl-1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxopurin-8-yl)methylester (8CI); Theophylline, 7-benzyl-8-(isothiocyanatomethyl)- (8CI); NSC 137469 |
CAS: | 27042-79-1 |
Molecular Formula: | C16H15 N5 O2 S |
Molecular Weight: | 341.3876 |
InChI: | InChI=1/C16H15N5O2S/c1-19-14-13(15(22)20(2)16(19)23)21(12(18-14)8-17-10-24)9-11-6-4-3-5-7-11/h3-7H,8-9H2,1-2H3 |
Molecular Structure: |
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Properties |
Flash Point: | 290.3°C |
Boiling Point: | 556.4°Cat760mmHg |
Density: | 1.37g/cm3 |
Refractive index: | 1.694 |
Flash Point: | 290.3°C |
Safety Data |
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