Cas no 27092-46-2 (Thiophene, 1,1-dioxide)

Thiophene, 1,1-dioxide structure
Thiophene, 1,1-dioxide structure
Product Name:Thiophene, 1,1-dioxide
CAS No:27092-46-2
MF:C4H4O2S
MW:116.138360023499
CID:257330
PubChem ID:117926
Update Time:2025-04-19

Thiophene, 1,1-dioxide Chemical and Physical Properties

Names and Identifiers

    • Thiophene, 1,1-dioxide
    • Thiophene sulfone
    • SCHEMBL166499
    • thiophene 1,1-dioxide
    • Butadiene cyclic sulfone
    • UMHFSEWKWORSLP-UHFFFAOYSA-N
    • Thiophene dioxide
    • Thiophene, S,S-dioxide
    • BRN 0106431
    • E?-thiophene-1,1-dione
    • 1
    • 4-17-00-00241 (Beilstein Handbook Reference)
    • DTXSID10181556
    • 27092-46-2
    • Inchi: 1S/C4H4O2S/c5-7(6)3-1-2-4-7/h1-4H
    • InChI Key: UMHFSEWKWORSLP-UHFFFAOYSA-N
    • SMILES: S1(C=CC=C1)(=O)=O

Computed Properties

  • Exact Mass: 115.99322
  • Monoisotopic Mass: 115.993
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 7
  • Rotatable Bond Count: 0
  • Complexity: 184
  • 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: 0.2
  • Topological Polar Surface Area: 42.5?2

Experimental Properties

  • Density: 1.418
  • Boiling Point: 337.3°C at 760 mmHg
  • Flash Point: 232°C
  • Refractive Index: 1.577
  • PSA: 34.14
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