Cas no 71735-36-9 (Naphtho[1,8-cd]-1,2-oxathiole-5-sulfonicacid, 2,2-dioxide)

Naphtho[1,8-cd]-1,2-oxathiole-5-sulfonicacid, 2,2-dioxide structure
71735-36-9 structure
Product Name:Naphtho[1,8-cd]-1,2-oxathiole-5-sulfonicacid, 2,2-dioxide
CAS No:71735-36-9
MF:C10H6O6S2
MW:286.281040668488
CID:570046
PubChem ID:44150062
Update Time:2025-04-19

Naphtho[1,8-cd]-1,2-oxathiole-5-sulfonicacid, 2,2-dioxide Chemical and Physical Properties

Names and Identifiers

    • Naphtho[1,8-cd]-1,2-oxathiole-5-sulfonicacid, 2,2-dioxide
    • Naphth(1,8-cd)-1,2-oxathiole-5-sulphonic acid 2,2-dioxide
    • 2,2-dioxo-2λ6-naphth[1,8-cd][1,2]oxathiol-5-sulfonic acid
    • naphth[1,8-cd]-1,2-oxathiole-5-sulphonic acid 2,2-dioxide
    • DTXSID50221960
    • NS00062215
    • EINECS 275-948-3
    • 71735-36-9
    • Inchi: 1S/C10H6O6S2/c11-17(12,13)8-4-5-9-10-6(8)2-1-3-7(10)16-18(9,14)15/h1-5H,(H,11,12,13)
    • InChI Key: NXJNYTLKBYZZQF-UHFFFAOYSA-N
    • SMILES: S1(C2=CC=C(C3=CC=CC(=C23)O1)S(=O)(=O)O)(=O)=O

Computed Properties

  • Exact Mass: 285.96058
  • Monoisotopic Mass: 285.96058025g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 6
  • Heavy Atom Count: 18
  • Rotatable Bond Count: 1
  • Complexity: 540
  • 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: 1.1
  • Topological Polar Surface Area: 115?2

Experimental Properties

  • PSA: 97.74
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