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S-(4-Nitrobenzyl)-6-thioinosine Structure

S-(4-Nitrobenzyl)-6-thioinosine

Chemical Properties

Melting point 187-190 °C(lit.)
Boiling point 770.2±70.0 °C(Predicted)
Density  1.3904 (rough estimate)
refractive index  1.6460 (estimate)
storage temp.  2-8°C
solubility  0.1 M HCl: slightly soluble
form  solid
pka 13.08±0.70(Predicted)
color  white
InChIKey DYCJFJRCWPVDHY-LSCFUAHRSA-N
SMILES OC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n2cnc3c(SCc4ccc(cc4)[N+]([O-])=O)ncnc23
CAS DataBase Reference 38048-32-7(CAS DataBase Reference)

Safety Information

Safety Statements  24/25
WGK Germany  3
RTECS  UO9025000
HS Code  29349990
Storage Class 11 - Combustible Solids

MSDS

Usage And Synthesis

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