Cas no 6974-60-3 (1,2-Benzisothiazol-3(2H)-one,2,2'-(1,3-propanediyl)bis-, 1,1,1',1'-tetraoxide)

1,2-Benzisothiazol-3(2H)-one,2,2'-(1,3-propanediyl)bis-, 1,1,1',1'-tetraoxide structure
6974-60-3 structure
Product Name:1,2-Benzisothiazol-3(2H)-one,2,2'-(1,3-propanediyl)bis-, 1,1,1',1'-tetraoxide
CAS No:6974-60-3
MF:C17H14N2O6S2
MW:406.432861804962
CID:518838
PubChem ID:225812
Update Time:2025-04-19

1,2-Benzisothiazol-3(2H)-one,2,2'-(1,3-propanediyl)bis-, 1,1,1',1'-tetraoxide Chemical and Physical Properties

Names and Identifiers

    • 1,2-Benzisothiazol-3(2H)-one,2,2'-(1,3-propanediyl)bis-, 1,1,1',1'-tetraoxide
    • 1,1-dioxo-2-[3-(1,1,3-trioxo-1,2-benzothiazol-2-yl)propyl]-1,2-benzothiazol-3-one
    • 1,3-propyl-bis-(1,2-benzisothiazol-3(2H)-one 1,1-dioxide)
    • 2,2'-propane-1,3-diylbis(1,2-benzothiazol-3(2h)-one) 1,1,1',1'-tetraoxide
    • AC1L5EB3
    • AC1Q6K8B
    • AR-1D1815
    • CTK9A1631
    • HMS3089H18
    • NSC15630
    • CHEMBL1711086
    • DTXSID90280117
    • NSC-15630
    • SMR001547920
    • MLS002638440
    • 6974-60-3
    • Inchi： 1S/C17H14N2O6S2/c20-16-12-6-1-3-8-14(12)26(22,23)18(16)10-5-11-19-17(21)13-7-2-4-9-15(13)27(19,24)25/h1-4,6-9H,5,10-11H2
    • InChI Key： DXHPMSRDRXGIRK-UHFFFAOYSA-N
    • SMILES： S1(C2C=CC=CC=2C(N1CCCN1C(C2C=CC=CC=2S1(=O)=O)=O)=O)(=O)=O

Computed Properties

  • Exact Mass: 406.02942
  • Monoisotopic Mass: 406.029
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 27
  • Rotatable Bond Count: 4
  • Complexity: 772
  • Covalently-Bonded Unit Count: 1
  • Defined Atom Stereocenter Count: 0
  • Undefined Atom Stereocenter Count : 0
  • Defined Bond Stereocenter Count: 0
  • Undefined Bond Stereocenter Count: 0
  • XLogP3: 1.3
  • Topological Polar Surface Area: 126?2

Experimental Properties

  • Density: 1.591
  • Boiling Point: 668.8°C at 760 mmHg
  • Flash Point: 358.3°C
  • Refractive Index: 1.676
  • PSA: 108.9
  • LogP: 3.10330

1,2-Benzisothiazol-3(2H)-one,2,2'-(1,3-propanediyl)bis-, 1,1,1',1'-tetraoxide Related Literature

6974-60-3 (1,2-Benzisothiazol-3(2H)-one,2,2'-(1,3-propanediyl)bis-, 1,1,1',1'-tetraoxide) Related Products

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