Cas no 17200-78-1 (Benzenamine, 3,3'-[6,6'-bibenzothiazole]-2,2'-diylbis-)

Benzenamine, 3,3'-[6,6'-bibenzothiazole]-2,2'-diylbis- structure
17200-78-1 structure
Product Name:Benzenamine, 3,3'-[6,6'-bibenzothiazole]-2,2'-diylbis-
CAS No:17200-78-1
MF:C26H18N4S2
MW:450.577922344208
CID:1354070
Update Time:2024-08-17

Benzenamine, 3,3'-[6,6'-bibenzothiazole]-2,2'-diylbis- Chemical and Physical Properties

Names and Identifiers

    • Benzenamine, 3,3'-[6,6'-bibenzothiazole]-2,2'-diylbis-
    • Benzenamine, 3,3'-[6,6'-bibenzothiazole]-2,2'-diylbis- (9CI)
    • Inchi: 1S/C26H18N4S2/c27-19-5-1-3-17(11-19)25-29-21-9-7-15(13-23(21)31-25)16-8-10-22-24(14-16)32-26(30-22)18-4-2-6-20(28)12-18/h1-14H,27-28H2
    • InChI Key: UZTHSUHQVSCZFN-UHFFFAOYSA-N
    • SMILES: S1C2=CC(C3C=C4SC(C5C=CC=C(N)C=5)=NC4=CC=3)=CC=C2N=C1C1C=CC=C(N)C=1

Computed Properties

  • Exact Mass: 450.09754

Experimental Properties

  • Density: 1.392±0.06 g/cm3(Predicted)
  • Boiling Point: 763.8±70.0 °C(Predicted)
  • PSA: 77.82
  • pka: 3.69±0.10(Predicted)
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