Cas no 2657-73-0 (Thiophene, 1-oxide)

Thiophene, 1-oxide structure
Thiophene, 1-oxide structure
Product Name:Thiophene, 1-oxide
CAS No:2657-73-0
MF:C4H4OS
MW:100.138959884644
CID:1427758
PubChem ID:9548690
Update Time:2025-04-20

Thiophene, 1-oxide Chemical and Physical Properties

Names and Identifiers

    • Thiophene, 1-oxide
    • thiophene-1-oxide
    • thiophene oxide
    • Inchi: 1S/C4H4OS/c5-6-3-1-2-4-6/h1-4H
    • InChI Key: LWRYDHOHXNQTSK-UHFFFAOYSA-N
    • SMILES: S1(C=CC=C1)=O

Computed Properties

  • Exact Mass: 99.99832
  • Monoisotopic Mass: 99.99828592g/mol
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 6
  • Rotatable Bond Count: 0
  • Complexity: 110
  • 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
  • Topological Polar Surface Area: 36.3?2

Experimental Properties

  • PSA: 17.07

Thiophene, 1-oxide Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Hydrogen peroxide Catalysts: Zirconium dioxide ,  Tungsten oxide (WO3) Solvents: Heptane ,  Water ;  60 min, 333 K
Reference
Oxidative desulfurization (ODS) of organosulfur compounds catalyzed by peroxo-metallate complexes of WOx-ZrO2 and thermochemical, structural, and reactivity indexes analyses
Torres-Garcia, E.; et al, Journal of Catalysis, 2011, 282(1), 201-208

Thiophene, 1-oxide Raw materials

Thiophene, 1-oxide Preparation Products

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