Cas no 41600-37-7 (1,2-Benzisothiazol-3(2H)-one,2,2'-(1,2-ethanediyl)bis-, 1,1,1',1'-tetraoxide)

1,2-Benzisothiazol-3(2H)-one,2,2'-(1,2-ethanediyl)bis-, 1,1,1',1'-tetraoxide structure
41600-37-7 structure
Product Name:1,2-Benzisothiazol-3(2H)-one,2,2'-(1,2-ethanediyl)bis-, 1,1,1',1'-tetraoxide
CAS No:41600-37-7
MF:C16H12N2O6S2
MW:392.406281471252
CID:334340
PubChem ID:287562
Update Time:2025-04-19

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

Names and Identifiers

    • 1,2-Benzisothiazol-3(2H)-one,2,2'-(1,2-ethanediyl)bis-, 1,1,1',1'-tetraoxide
    • 2-(5-thiophen-2-yltetrazol-1-yl)acetic acid
    • 1,1,1',1'-Tetramethyl-4,4'-aethandiyl-bis-piperazinium, Dijodid
    • 1,1,1',1'-tetramethyl-4,4'-ethanediyl-bis-piperazinium, diiodide
    • 1,2-Bis-(4-methylpiperazino)-ethan-bis-iodmethylat-(4,4')
    • 116 HC
    • 4,4'-Ethylenebis(1,1-dimethylpiperazinium iodide)
    • 4-[2-(4,4-dimethylpiperazin-4-ium-1-yl)ethyl]-1,1-dimethylpiperazin-1
    • AC1MIAY7
    • Aethylendisaccharin
    • LS-113744
    • SD 211-02
    • 2,2'-(Ethane-1,2-diyl)di(1H-1lambda~6~,2-benzothiazole-1,1,3(2H)-trione)
    • Z18754641
    • AKOS007948302
    • DTXSID70961836
    • NSC147616
    • 41600-37-7
    • NSC-147616
    • 1,1-dioxo-2-[2-(1,1,3-trioxo-1,2-benzothiazol-2-yl)ethyl]-1,2-benzothiazol-3-one
    • Inchi: 1S/C16H12N2O6S2/c19-15-11-5-1-3-7-13(11)25(21,22)17(15)9-10-18-16(20)12-6-2-4-8-14(12)26(18,23)24/h1-8H,9-10H2
    • InChI Key: YZOXPYCXFAOPLW-UHFFFAOYSA-N
    • SMILES: S1(C2C=CC=CC=2C(N1CCN1C(C2C=CC=CC=2S1(=O)=O)=O)=O)(=O)=O

Computed Properties

  • Exact Mass: 210.02128
  • Monoisotopic Mass: 392.013678
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 26
  • Rotatable Bond Count: 3
  • Complexity: 756
  • 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
  • Topological Polar Surface Area: 126
  • XLogP3: 0.9

Experimental Properties

  • Density: 1.642
  • Boiling Point: 663°Cat760mmHg
  • Flash Point: 354.8°C
  • Refractive Index: 1.692
  • PSA: 80.9
  • LogP: 2.71320
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