Benzenamine, 2-(2-propynylthio)-

Base Information

• Chemical Name: Benzenamine, 2-(2-propynylthio)-
• CAS No.: 58432-15-8
• Molecular Formula: C9H9NS
• Molecular Weight: 163.243
• DSSTox Substance ID: DTXSID90447985
• Nikkaji Number: J1.309.207I
• Wikidata: Q82266894
• Mol file: 58432-15-8.mol

Synonyms:Benzenamine, 2-(2-propynylthio)-;58432-15-8;2-[(2-Propynyl)thio]aniline;DTXSID90447985;AKOS000190453

Chemical Property of Benzenamine, 2-(2-propynylthio)-

Chemical Property:

• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 163.04557046
• Heavy Atom Count: 11
• Complexity: 158

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C#CCSC1=CC=CC=C1N

Technology Process of Benzenamine, 2-(2-propynylthio)-

There total 4 articles about Benzenamine, 2-(2-propynylthio)- 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: 83.0%

propargyl bromide (106-96-7) + 2-amino-benzenethiol (137-07-5) → 3-(2-aminophenylthio)prop-1-yne (58432-15-8)

Guidance literature:

With tetrabutylammomium bromide; potassium hydroxide; In water; toluene; at 20 ℃;

DOI:10.1080/00397911.2016.1254800

Reference yield:

3-(o-nitrophenylthio)-1-propyne (58461-95-3) → 3-(2-aminophenylthio)prop-1-yne (58432-15-8)

Guidance literature:

With iron; acetic acid;

Reference yield:

o-nitrothiophenol (4875-10-9) → 3-(2-aminophenylthio)prop-1-yne (58432-15-8)

Guidance literature:

Multi-step reaction with 2 steps

2: Fe, AcOH

With iron; acetic acid;

upstream raw materials:

3-(o-nitrophenylthio)-1-propyne

propargyl bromide

sodium 2-aminothiophenol

2-amino-benzenethiol

Downstream raw materials:

N-<2-(prop-2-ynylthio)phenyl>acetamide

3-(2-aminophenylthio)-1-(4-methylphenyl)prop-1-yne

3-(2-aminophenylthio)-1-(3-chlorophenyl)prop-1-yne

3-(2-aminophenylthio)-1-(2,4-dimethoxypyrimidin-5-yl)prop-1-yne