Cas no 51500-42-6 (Benzothiophenesulfoxide)

Benzothiophenesulfoxide structure
Benzothiophenesulfoxide structure
Product Name:Benzothiophenesulfoxide
CAS No:51500-42-6
MF:C8H6OS
MW:150.197640895844
MDL:MFCD08063954
CID:56016
PubChem ID:5383918
Update Time:2025-04-18

Benzothiophenesulfoxide Chemical and Physical Properties

Names and Identifiers

    • 1-Benzothiophene 1-oxide
    • Benzo[b]thiophene S-oxide
    • Benzo[b]thiophene 1-oxide
    • Benzothiophene sulfoxide
    • (+/-)-benzo[b]thiophene 1-oxide
    • Benzo(b)thiophene S-oxide
    • benzo[b]thiophenesulfone
    • benzothiophene 1-oxide
    • benzothiophene 5-oxide
    • Benzothiophene-S-oxide
    • Benzothiophen-S-oxid
    • FT-0640000
    • benzo[b]thiophenone
    • 1
    • NSC-202038
    • DTXSID40875779
    • AKOS006286467
    • A828627
    • E?-benzothiophen-1-one
    • SCHEMBL76168
    • NSC202038
    • NSC 202038
    • Benzo(b)thiophene, 1-oxide
    • 51500-42-6
    • Benzothiophenesulfoxide
    • MDL： MFCD08063954
    • Inchi： 1S/C8H6OS/c9-10-6-5-7-3-1-2-4-8(7)10/h1-6H
    • InChI Key： TVBBBGXDQQURHJ-UHFFFAOYSA-N
    • SMILES： S1(C=CC2C=CC=CC1=2)=O

Computed Properties

  • Exact Mass: 150.01400
  • Monoisotopic Mass: 150.014
  • Isotope Atom Count: 0
  • Hydrogen Bond Donor Count: 0
  • Hydrogen Bond Acceptor Count: 2
  • Heavy Atom Count: 10
  • Rotatable Bond Count: 0
  • Complexity: 155
  • 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
  • Surface Charge: 0
  • Tautomer Count: nothing
  • XLogP3: 1.3
  • Topological Polar Surface Area: 36.3A^2

Experimental Properties

  • Density: 1.45
  • Boiling Point: 496.8°Cat760mmHg
  • Flash Point: 254.2°C
  • Refractive Index: 1.686
  • PSA: 38.77000
  • LogP: 2.78250

Benzothiophenesulfoxide Customs Data

  • HS CODE：2934999090
  • Customs Data：

    China Customs Code:

    2934999090

    Overview:

    2934999090. Other heterocyclic compounds. VAT:17.0%. Tax refund rate:13.0%. Regulatory conditions:nothing. MFN tariff:6.5%. general tariff:20.0%

    Declaration elements:

    Product Name, component content, use to

    Summary:

    2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

Benzothiophenesulfoxide Pricemore >>

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Benzothiophenesulfoxide Production Method

Production Method 1

Reaction Conditions
1.1 Reagents: Hydrogen peroxide Catalysts: 1542160-51-9 Solvents: Acetonitrile ,  Water ;  3 h, 45 °C
1.2 Reagents: Manganese oxide (MnO2) ;  10 min
Reference
Niobium(V) oxido tris-carbamate as easily available and robust catalytic precursor for the selective sulfide to sulfone oxidation
Bresciani, Giulio ; et al, Molecular Catalysis, 2021, 516,

Production Method 2

Reaction Conditions
1.1 Reagents: tert-Butyl hydroperoxide Catalysts: 1584692-48-7 Solvents: 1,2-Dichloroethane ;  30 h, reflux
Reference
Oxidation of alkenes and sulfides catalyzed by a new binuclear molybdenum bis-oxazoline complex
Moshref Javadi, Maedeh; et al, Polyhedron, 2014, 72, 19-26

Production Method 3

Reaction Conditions
1.1 Reagents: Iodosylbenzene Catalysts: Iron tetraphenylporphyrin chloride Solvents: Methanol ;  > 5 min, rt
Reference
Evidence of Two Key Intermediates Contributing to the Selectivity of P450-Biomimetic Oxidation of Sulfides to Sulfoxides and Sulfones
Zhou, Xinrui; et al, Chemistry - An Asian Journal, 2012, 7(10), 2253-2257

Production Method 4

Reaction Conditions
1.1 Reagents: Hydrogen peroxide Catalysts: 1641528-60-0 Solvents: Ethanol ;  60 min, reflux
Reference
Epoxidation of alkenes and oxidation of sulfides catalyzed by a new binuclear vanadium bis-oxazoline complex
Javadi, Maedeh Moshref; et al, Journal of the Iranian Chemical Society, 2015, 12(3), 477-485

Benzothiophenesulfoxide Raw materials

Benzothiophenesulfoxide Preparation Products

Benzothiophenesulfoxide Related Literature

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