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1H-Purine-2,6-dione,3,7-dihydro-8-(isothiocyanatomethyl)-1,3-dimethyl-7-(phenylmethyl)- (27042-79-1)

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: (C16H15N5O2S) Isothiocyanicacid, (7-benzyl-1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxopurin-8-yl)methylester (8CI); ...
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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