Thietane 1,1-dioxide

Base Information

• Chemical Name: Thietane 1,1-dioxide
• CAS No.: 5687-92-3
• Molecular Formula: C3H6 O2 S
• Molecular Weight: 106.145
• Hs Code.: 2901100000
• European Community (EC) Number: 855-468-6
• NSC Number: 101885
• UNII: GKF638T3KC
• DSSTox Substance ID: DTXSID40295433
• Nikkaji Number: J150.669B
• Wikidata: Q72508649
• Mol file: 5687-92-3.mol

Synonyms:thietane 1,1-dioxide;5687-92-3;THIETANE-1,1-DIOXIDE;Trimethylene sulfone;thietane, 1,1-dioxide;Thietane dioxide;1lambda6-Thietane-1,1-dione;NSC-101885;GKF638T3KC;1lambda~6~-thietane-1,1-dione;thietane1,1-dioxide;NSC101885;thietan 1,1-dioxid;UNII-GKF638T3KC;NCIOpen2_001916;SCHEMBL256748;DTXSID40295433;MFCD00088478;AKOS015856612;A8127;AM20100397;FT-0658288;T2976;EN300-82960;J-524945;InChI=1/C3H6O2S/c4-6(5)2-1-3-6/h1-3H;XFV

Chemical Property of Thietane 1,1-dioxide

Chemical Property:

• Melting Point: 72.0 to 76.0 °C
• Refractive Index: 1.5156
• Boiling Point: 506.3°Cat760mmHg
• Flash Point: 402.5°C
• PSA: 42.52000
• Density: 1.368g/cm³
• LogP: 0.88570
• XLogP3: -0.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 106.00885060
• Heavy Atom Count: 6
• Complexity: 117

Purity/Quality:

98%,99%, ^*data from raw suppliers

Thietane 1,1-Dioxide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1CS(=O)(=O)C1

Technology Process of Thietane 1,1-dioxide

There total 7 articles about Thietane 1,1-dioxide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 94.4%

trimethylene oxide (503-30-0) → thiethane 1,1-dioxide (5687-92-3)

Guidance literature:

trimethylene oxide; With Pt/Al₂O₃; hydrogen sulfide; at 420 ℃; for 3.2h; Molecular sieve;

With ozone; In acetone; at 70 ℃; for 2h; under 4500.45 Torr; Temperature; Pressure; Autoclave; Molecular sieve; Inert atmosphere;

Reference yield: 94.0%

trimethylene sulphide (287-27-4) → thiethane 1,1-dioxide (5687-92-3)

Guidance literature:

With dihydrogen peroxide; acetic acid; sodium hydroxide; tungsten(VI) oxide; In water monomer; at 0 ℃; for 1h;

DOI:10.1021/jo00187a021

Reference yield: 50.0%

3-Thietanone 1,1-dioxide trimethylene dithioketal (85069-70-1) → thiethane 1,1-dioxide (5687-92-3)

Guidance literature:

With nickel; In ethanol; for 20h; Heating;

DOI:10.1021/jo00187a021

upstream raw materials:

trimethylene sulphide

3-Thietanone 1,1-dioxide trimethylene dithioketal

thietane 1-oxide

trimethylene oxide

Downstream raw materials:

3-ethylthiothietane 1,1-dioxide

(methylsulfonyl)propane

3-Chlorothietane 1,1-dioxide

3-Bromothietane 1,1-dioxide

Refernces

• 1、 Laidlaw, Gillian,Franckevi?ius, Vilius. "Palladium-Catalyzed Decarboxylative Asymmetric Allylic Alkylation of Thietane 1,1-Dioxides". supporting information. p. 400 - 405. Retrieved 2022/01/04.
• 2、 -. "Synthesis method of thiocyclobutane-1,1-dioxide". Paragraph 0015-0029. . Retrieved 2020/07/15.