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1276110-06-5

Name HS-173
CAS 1276110-06-5
Molecular Formula C21H18N4O4S
MDL Number MFCD28023584
Molecular Weight 422.457
MOL File 1276110-06-5.mol

Chemical Properties

Melting point  >193°C (dec.)
density  1.38±0.1 g/cm3(Predicted)
storage temp.  2-8°C
solubility  Chloroform (Slightly), DMSO (Slightly)
form  Solid
pka 6.84±0.40(Predicted)
color  Grey to Brown
InChI InChI=1S/C21H18N4O4S/c1-2-29-21(26)19-13-23-20-9-8-15(14-25(19)20)16-10-17(12-22-11-16)24-30(27,28)18-6-4-3-5-7-18/h3-14,24H,2H2,1H3
InChIKey SEKOTFCHZNXZMM-UHFFFAOYSA-N
SMILES C12=NC=C(C(OCC)=O)N1C=C(C1=CC(NS(C3=CC=CC=C3)(=O)=O)=CN=C1)C=C2

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