Thiirane 1-oxide

Base Information

• Chemical Name: Thiirane 1-oxide
• CAS No.: 7117-41-1
• Molecular Formula: C2H4OS
• Molecular Weight: 76.1192
• DSSTox Substance ID: DTXSID60221355
• Nikkaji Number: J150.418E
• Wikipedia: Ethylene_episulfoxide
• Wikidata: Q69350441
• Mol file: 7117-41-1.mol

Synonyms:thiirane 1-oxide;7117-41-1;Thiirane, 1-oxide-;Thiirane S-oxide;thiirane, 1-oxide;Ethylene episulfoxide;1|E?-thiiran-1-one;DTXSID60221355

Chemical Property of Thiirane 1-oxide

Chemical Property:

• Vapor Pressure: 0.00436mmHg at 25°C
• Boiling Point: 287.2°Cat760mmHg
• Flash Point: 127.5°C
• PSA: 36.28000
• Density: 1.45g/cm³
• LogP: 0.61440
• XLogP3: -1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 75.99828592
• Heavy Atom Count: 4
• Complexity: 44

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CS1=O

Technology Process of Thiirane 1-oxide

There total 3 articles about Thiirane 1-oxide 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: 84.0%

thirane (420-12-2) → thiirane 1-oxide (7117-41-1)

Guidance literature:

With C₁₉H₁₁F₂N₃O₃V; dihydrogen peroxide; In acetic acid; at 25 ℃; for 0.2h;

DOI:10.1007/s13738-018-1480-2

Reference yield:

thirane (420-12-2) → thiirane-1,1-dioxide (1782-89-4) + thiirane 1-oxide (7117-41-1)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In chloroform-d1;

DOI:10.1002/mrc.2658

Reference yield:

→ thiirane 1-oxide (7117-41-1)

Guidance literature:

DOI:10.1016/S0040-4020(01)98185-2 DOI:10.1039/j39690002334

upstream raw materials:

thirane

Downstream raw materials:

ethene

diphenylmethyl ethenyl sulfoxide

sulfur trioxide

sulfur dioxide

Refernces

• 1、 Hanson, Peter,Hendrickx, Ramon A. A. J.,Lindsay Smith, John R.. "A kinetic investigation, supported by theoretical calculations, of steric and ring strain effects on the oxidation of sulfides and sulfoxides by dimethyldioxirane in acetone". supporting information; scheme or table. p. 65 - 84. Retrieved 2011/01/07.