Cas no 51092-02-5 (Thiophene, 2,5-diphenyl-, 1,1-dioxide)

Thiophene, 2,5-diphenyl-, 1,1-dioxide structure
51092-02-5 structure
Product Name:Thiophene, 2,5-diphenyl-, 1,1-dioxide
CAS No:51092-02-5
MF:C16H12O2S
MW:268.330283164978
CID:363285
PubChem ID:12214984
Update Time:2025-04-19

Thiophene, 2,5-diphenyl-, 1,1-dioxide Chemical and Physical Properties

Names and Identifiers

    • Thiophene, 2,5-diphenyl-, 1,1-dioxide
    • 2,5-diphenylthiophene 1,1-dioxide
    • DTXSID80480801
    • 51092-02-5
    • SCHEMBL6309408
    • Inchi: 1S/C16H12O2S/c17-19(18)15(13-7-3-1-4-8-13)11-12-16(19)14-9-5-2-6-10-14/h1-12H
    • InChI Key: YKAPPCLXMVLRQR-UHFFFAOYSA-N
    • SMILES: S1(C(C2C=CC=CC=2)=CC=C1C1C=CC=CC=1)(=O)=O

Computed Properties

  • Exact Mass: 268.05586
  • Monoisotopic Mass: 268.05580079g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 19
  • Rotatable Bond Count: 2
  • Complexity: 441
  • 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: 3.4
  • Topological Polar Surface Area: 42.5?2

Experimental Properties

  • PSA: 34.14
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