(3aS-cis)-1,3-dibenzyltetrahydro-1H-thieno[3,4-d]imidazole-2,4-dione Structure

(3aS-cis)-1,3-dibenzyltetrahydro-1H-thieno[3,4-d]imidazole-2,4-dione

Chemical Properties

Melting point 125-126 °C(Solv: ethyl acetate (141-78-6))
Boiling point 578.4±50.0 °C(Predicted)
Density  1.331±0.06 g/cm3(Predicted)
pka -1.31±0.20(Predicted)
InChI InChI=1S/C19H18N2O2S/c22-18-17-16(13-24-18)20(11-14-7-3-1-4-8-14)19(23)21(17)12-15-9-5-2-6-10-15/h1-10,16-17H,11-13H2/t16-,17-/m0/s1
InChIKey XJZIDYQGGLZUIO-IRXDYDNUSA-N
SMILES C1(=O)N(CC2=CC=CC=C2)[C@]2([H])C(=O)SC[C@]2([H])N1CC1=CC=CC=C1

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