Thiocan-5-one 1,1-dioxide

Base Information

• Chemical Name: Thiocan-5-one 1,1-dioxide
• CAS No.: 36165-02-3
• Molecular Formula: C₇H₁₂O₃S
• Molecular Weight: 176.236
• NSC Number: 96453
• DSSTox Substance ID: DTXSID00294407
• Wikidata: Q82033710
• Mol file: 36165-02-3.mol

Synonyms:36165-02-3;thiocan-5-one 1,1-dioxide;NSC96453;SCHEMBL11532547;DTXSID00294407;PVNJHJLDXZOLSF-UHFFFAOYSA-N;NSC-96453;1-thiacyclooctane-5-one 1,1-dioxide

Chemical Property of Thiocan-5-one 1,1-dioxide

Chemical Property:

• Vapor Pressure: 2.69E-06mmHg at 25°C
• Boiling Point: 390.3°Cat760mmHg
• Flash Point: 254.8°C
• Density: 1.215g/cm³
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 176.05071541
• Heavy Atom Count: 11
• Complexity: 217

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(=O)CCCS(=O)(=O)C1

Technology Process of Thiocan-5-one 1,1-dioxide

There total 2 articles about Thiocan-5-one 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: 74.0%

thiocan-5-one (20701-80-8) → thiocan-5-one 1,1-dioxide (36165-02-3)

Guidance literature:

With dihydrogen peroxide; In acetone; at 20 ℃;

DOI:10.1002/hlca.201200260

Reference yield:

→ thiocan-5-one 1,1-dioxide (36165-02-3)

Guidance literature:

1-Thia-cyclooctanon-(5), 30percentig. wss. H2O2, Acn., 1. Erwaermen (einige Minuten), 2. Raumtemp. (2 Tage);

DOI:10.1021/ja01500a063

upstream raw materials:

thiocan-5-one

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