3-Mercapto-N-methylpropanamide

Base Information

• Chemical Name: 3-Mercapto-N-methylpropanamide
• CAS No.: 52334-99-3
• Molecular Formula: C4H9 N O S
• Molecular Weight: 119.188
• European Community (EC) Number: 610-826-9
• DSSTox Substance ID: DTXSID20886000
• Nikkaji Number: J422.600C
• Wikidata: Q82864716
• Mol file: 52334-99-3.mol

Synonyms:3-Mercapto-N-methylpropanamide;52334-99-3;Propanamide, 3-mercapto-N-methyl-;N-methyl-3-sulfanylpropanamide;3-mercapto-N-methyl propanamide;N-Methyl 3-mercaptopropionamide;SCHEMBL1146799;DTXSID20886000;N-methyl-(3-mercapto)propionamide;n-methyl-(3-mercapto)-propionamide;MFCD01756800;AKOS006279331;BS-17440;LS-119311;EN300-127389;A924409

Chemical Property of 3-Mercapto-N-methylpropanamide

Chemical Property:

• Vapor Pressure: 0.00199mmHg at 25°C
• Boiling Point: 291.1°Cat760mmHg
• Flash Point: 129.9°C
• PSA: 71.39000
• Density: 1.04g/cm³
• LogP: 0.89260
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: -0.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 119.04048508
• Heavy Atom Count: 7
• Complexity: 64.7

Purity/Quality:

99.9% ^*data from raw suppliers

3-Mercapto-N-methylpropanamide 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Moderately toxic by ingestion and skin contact. A mild skin and severe eye irritant.
• Hazard Codes: Moderately toxic by ingestion and skin contact. A mild skin and severe eye irritant.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CNC(=O)CCS

Technology Process of 3-Mercapto-N-methylpropanamide

There total 2 articles about 3-Mercapto-N-methylpropanamide 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: 100.0%

Methyl 3-mercaptopropionate (2935-90-2) + methylamine (74-89-5) → N-methyl-3-mercaptopropionamide (52334-99-3)

Guidance literature:

Reference yield:

→ N-methyl-3-mercaptopropionamide (52334-99-3)

Guidance literature:

3-Acetylthioverb., Na/Methanol;

DOI:10.1016/0040-4020(78)88160-5

Reference yield: 81.0%

N-methyl-3-mercaptopropionamide (52334-99-3) + 2-methyl-isothiazolidin-3-one (1003-22-1) → N,N'-dimethyl-3,3'-dithiodipropionamide (999-72-4)

Guidance literature:

In chloroform; for 24h; Ambient temperature;

upstream raw materials:

Methyl 3-mercaptopropionate

methylamine

Downstream raw materials:

N,N'-dimethyl-3,3'-dithiodipropionamide

5-chloro-2-methyl-2H-isothiazol-3-one

2-methyl-3-isothiazolone

Refernces

• 1、 -. "3-isothiazolone biocide process". . . Retrieved 2008/06/13.