N-(2-bromophenyl)ethanethioamide

Base Information

• Chemical Name: N-(2-bromophenyl)ethanethioamide
• CAS No.: 62635-46-5
• Molecular Formula: C8H8BrNS
• Molecular Weight: 230.128
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID60211675
• Nikkaji Number: J1.926.001A
• Mol file: 62635-46-5.mol

Synonyms:N-(2-bromophenyl)ethanethioamide;62635-46-5;Ethanethioamide,N-(2-bromophenyl)-;N-(2-bromophenyl)thioacetamide;DTXSID60211675;AKOS024463016;FT-0733000

Chemical Property of N-(2-bromophenyl)ethanethioamide

Chemical Property:

• Vapor Pressure: 0.00559mmHg at 25°C
• Boiling Point: 273.9°Cat760mmHg
• Flash Point: 119.4°C
• PSA: 51.16000
• Density: 1.57g/cm³
• LogP: 3.42880
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 228.95608
• Heavy Atom Count: 11
• Complexity: 149

Purity/Quality:

97% ^*data from raw suppliers

N-(2-Bromophenyl)ethanethioamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=S)NC1=CC=CC=C1Br

Technology Process of N-(2-bromophenyl)ethanethioamide

There total 2 articles about N-(2-bromophenyl)ethanethioamide 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%

N-acetyl-2-bromoaniline (614-76-6) → N-(2-bromophenyl)ethanethioamide (62635-46-5)

Guidance literature:

With Lawessons reagent;

DOI:10.1016/S0040-4039(03)01469-2

Reference yield:

2-bromoaniline (615-36-1) → N-(2-bromophenyl)ethanethioamide (62635-46-5)

Guidance literature:

Multi-step reaction with 2 steps

1: 100 percent / Lawesson reagent

With Lawessons reagent;

DOI:10.1016/S0040-4039(03)01469-2

Reference yield: 96.0%

N-(2-bromophenyl)ethanethioamide (62635-46-5) + methylamine (74-89-5) → N-(2-bromo-phenyl)-N'-methyl-acetamidine (444995-68-0)

Guidance literature:

With mercury dichloride; In tetrahydrofuran; at 20 ℃; for 18h;

DOI:10.1016/S0040-4039(02)00132-6

upstream raw materials:

N-acetyl-2-bromoaniline

2-bromoaniline

Downstream raw materials:

N'-(2-bromophenyl)-N-ethylethanimidamide

N-(2-bromo-phenyl)-N'-isopropyl-acetamidine

N-(2-bromo-phenyl)-N'-cyclopentyl-acetamidine

N-(2-bromo-phenyl)-N'-methyl-acetamidine

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