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2-Thioadenosine Structure

2-Thioadenosine

Chemical Properties

Melting point >178°C (dec.)
Boiling point 544.5±60.0 °C(Predicted)
Density  2.18±0.1 g/cm3(Predicted)
storage temp.  2-8°C(protect from light)
solubility  Aqueous Base (Slightly), DMSO (Slightly), Methanol (Slightly, Heated, Sonicated)
form  Solid
pka 8.37±0.40(Predicted)
color  Pale Yellow to Yellow
InChI InChI=1S/C10H13N5O4S/c11-7-4-8(14-10(20)13-7)15(2-12-4)9-6(18)5(17)3(1-16)19-9/h2-3,5-6,9,16-18H,1H2,(H3,11,13,14,20)/t3-,5-,6-,9-/m1/s1
InChIKey LTESOZAUMTUKQX-UUOKFMHZSA-N
SMILES OC[C@H]1O[C@@H](N2C3=C(C(=NC(=S)N3)N)N=C2)[C@H](O)[C@@H]1O
CAS DataBase Reference 43157-50-2

Safety Information

HS Code  2934999090

Usage And Synthesis

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