Propanethial S-oxide

Base Information

• Chemical Name: Propanethial S-oxide
• CAS No.: 32157-29-2
• Molecular Formula: C3H6OS
• Molecular Weight: 90.1441
• UNII: OI55X42ZZH,TLN93NUR7S
• DSSTox Substance ID: DTXSID50954029
• Nikkaji Number: J1.802.424A,J517.548H
• Wikipedia: Syn-Propanethial-S-oxide
• Wikidata: Q3044968
• Metabolomics Workbench ID: 48999
• Mol file: 32157-29-2.mol

Synonyms:propanethial S-oxide;thiopropanal S-oxide

Chemical Property of Propanethial S-oxide

Chemical Property:

• Vapor Pressure: 41.2mmHg at 25°C
• Boiling Point: 101°Cat760mmHg
• Flash Point: 14.9°C
• Density: 0.99g/cm³
• XLogP3: 0.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• 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:

• Canonical SMILES: CCC=S=O

Technology Process of Propanethial S-oxide

There total 6 articles about Propanethial S-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: 16.0%

propane-1-sulfinyl chloride (23267-68-7) → (Z)-propanethial S-oxide (70565-74-1,32157-29-2)

Guidance literature:

With triethylamine; In various solvent(s); at -78 - -20 ℃; for 6h;

DOI:10.1021/jo00381a020

Reference yield:

propyl propylthiosulfinate (1948-52-3,133692-44-1) → propyl propylthiosulfonate (1113-13-9) + propane-1-sulfinic acid (55109-28-9) + (Z)-propanethial S-oxide (70565-74-1,32157-29-2) + propyl disulfoxide (85085-14-9)

Guidance literature:

With 3-chloro-benzenecarboperoxoic acid; In chloroform-d1; -40 deg C, 17 min -> -20 deg C;

DOI:10.1021/ja00350a049

Reference yield:

2-methyl-2-propyl 1'-propenyl sulfoxide (232265-53-1) → (Z)-propanethial S-oxide (70565-74-1,32157-29-2)

Guidance literature:

at 400 ℃; under 0.01 Torr; Yield given. Title compound not separated from byproducts;

DOI:10.1021/ja960722j

upstream raw materials:

propyl propylthiosulfinate

propane-1-sulfinyl chloride

2-methyl-2-propyl 1'-propenyl sulfoxide