Propanethioic acid

Base Information

• Chemical Name: Propanethioic acid
• CAS No.: 1892-31-5
• Molecular Formula: C3H6OS
• Molecular Weight: 90.146
• Hs Code.: 2930909090
• European Community (EC) Number: 217-577-1
• NSC Number: 74249
• UNII: YSX8CJ46RR
• DSSTox Substance ID: DTXSID0075156
• Nikkaji Number: J199.718A
• Wikidata: Q82003180
• Mol file: 1892-31-5.mol

Synonyms:Propanethioic acid;thiopropionic acid;1892-31-5;propanethioic S-acid;thiopropionicacid;Propanethioic acid (9CI);EINECS 217-577-1;NSC-74249;Thiopropionsaure;thiopropanoic acid;NSC74249;methylthioacetic acid;YSX8CJ46RR;DTXSID0075156;NSC 74249;AKOS006277702;AKOS028109312;EN300-1716848

Chemical Property of Propanethioic acid

Chemical Property:

• Vapor Pressure: 24.9mmHg at 25°C
• Refractive Index: 1.447
• Boiling Point: 109.4 °C at 760 mmHg
• Flash Point: 19.9 °C
• PSA: 55.87000
• Density: 1.01 g/cm³
• LogP: 0.85280
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 90.01393598
• Heavy Atom Count: 5
• Complexity: 42.2

Purity/Quality:

99.5% ^*data from raw suppliers

THIOPROPIONIC ACID 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(=O)S

Technology Process of Propanethioic acid

There total 13 articles about Propanethioic acid 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: 28.0%

propionyl chloride (79-03-8) → propanethioic acid (1892-31-5,5512-76-5)

Guidance literature:

With triethylamine; In dichloromethane;

Reference yield:

carbon oxide sulfide (463-58-1) + ethylmagnesium bromide (925-90-6) → 3-ethylpentan-3-ol (597-49-9) + thiopropionic acid (1892-31-5)

Guidance literature:

With diethyl ether; nachfolgende Zersetzung mit verd.Schwefelsaeure;

Reference yield:

carbon oxide sulfide (463-58-1) + ethylmagnesium bromide → 3-ethylpentan-3-ol (597-49-9) + thiopropionic acid (1892-31-5)

Guidance literature:

upstream raw materials:

carbon oxide sulfide

ethylmagnesium bromide

O-ethyl thiopropionate

propionyl chloride

Downstream raw materials:

ethyl-2,4,6,8,9,10-hexathia-adamantane

diethyl-2,4,6,8,9,10-hexathia-adamantane

17β-hydroxy-7α-propionylmercapto-androst-4-en-3-one

(Z)-4-(4-methoxybenzylidene)-2-phenylthiazol-5(4H)-one

Refernces

• 1、 -. "High percentage beta-yield synthesis of carbapenem intermediates". . . Retrieved 2008/06/13.
• 2、 -. "4-Androsten-3-ones and process for the preparation thereof". . . Retrieved 2008/06/13.