Thietane 1-oxide

Base Information

• Chemical Name: Thietane 1-oxide
• CAS No.: 13153-11-2
• Molecular Formula: C3H6 O S
• Molecular Weight: 90.146
• Hs Code.: 2934999090
• European Community (EC) Number: 882-799-3
• NSC Number: 244321
• UNII: 2TZH7KB8N8
• DSSTox Substance ID: DTXSID10157099
• Nikkaji Number: J108.847E
• Wikidata: Q83025224
• ChEMBL ID: CHEMBL368734
• Mol file: 13153-11-2.mol

Synonyms:Thietane 1-oxide;Thietane, 1-oxide;Thietane S-oxide;13153-11-2;Thietane oxide;TRIMETHYLENE SULFOXIDE;Propanesulfone;1,3-Propanesulfone;Propylthiocyclane sulfoxide;propanesulphone;NSC 244321;BRN 0104565;2TZH7KB8N8;Thietane, 1-oxide (9CI);CHEMBL368734;NSC-244321;5-17-01-00015 (Beilstein Handbook Reference);propane sulfone;trimethylensulfoxid;1|E?-thietan-1-one;1lambda4-thietan-1-one;UNII-2TZH7KB8N8;DTXSID10157099;BDBM50224813;NSC244321;LS-157461;EN300-3429293

Chemical Property of Thietane 1-oxide

Chemical Property:

• Vapor Pressure: 0.0125mmHg at 25°C
• Melting Point: 31.5 °C
• Boiling Point: 268.7°Cat760mmHg
• Flash Point: 116.3°C
• PSA: 36.28000
• Density: 1.3g/cm³
• LogP: 1.00450
• XLogP3: -0.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 90.01393598
• Heavy Atom Count: 5
• Complexity: 53.9

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Other Classes -> Sulfur Compounds
• Canonical SMILES: C1CS(=O)C1

Technology Process of Thietane 1-oxide

There total 3 articles about Thietane 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: 95.0%

trimethylene sulphide (287-27-4) → thietane 1-oxide (13153-11-2)

Guidance literature:

With dihydrogen peroxide; acetic acid; at 0 ℃; for 3h;

DOI:10.1039/c4ob00173g

Reference yield:

trimethylene sulphide (287-27-4) → thietane 1-oxide (13153-11-2) + thiethane 1,1-dioxide (5687-92-3)

Guidance literature:

With oxygen; In chloroform-d1; Mechanism; Ambient temperature; Irradiation; also Et₂S, Ph₂S;

DOI:10.1021/ja00144a003

Reference yield:

→ thietane 1-oxide (13153-11-2)

Guidance literature:

upstream raw materials:

trimethylene sulphide

Downstream raw materials:

thiethane 1,1-dioxide

Refernces

• 1、 Baker, A. D.,Scharfman, Renee,Stein, C. A.. "ULTRA LONG-RANGE THROUGH-BOND INTERACTIONS IN DITHIASPIRANE DISULFOXIDES AS REVEALED BY PHOTOELECTRON SPECTROSCOPY". . p. 2957 - 2960. Retrieved 1983.
• 2、 Zabardasti, Abedien,Shangaie, Sayed Asad. "Vanadium (IV) complexes with Schiff base ligands derived from 2,3-diaminopyridine as catalyst for the oxidation of sulfides to sulfoxides with H2O2". . p. 57 - 64. Retrieved 2019.
• 3、 Chadha,Leidal,Plapp. "Inhibition by carboxamides and sulfoxides of liver alcohol dehydrogenase and ethanol metabolism". . p. 916 - 922. Retrieved 1983.
• 4、 Wen, Liqin,Li, Ming,Schlenoff, Joseph B.. "Polyporphyrin thin films from the interfacial polymerization of mercaptoporphyrins". . p. 7726 - 7733. Retrieved 1997.
• 5、 Dracinsky, Martin,Pohl, Radek,Slavetinska, Lenka,Budesinsky, Milos. "Observed and calculated 1Hand 13C chemical shifts induced by the in situ oxidation ofmodel sulfides to sulfoxides and sulfones". experimental part. p. 718 - 726. Retrieved 2011/05/15.