2-(4-Methylphenyl)sulfanylethylazanium

Base Information

• Chemical Name: 2-(4-Methylphenyl)sulfanylethylazanium
• CAS No.: 42404-23-9
• Molecular Formula: C9H14NS+
• Molecular Weight: 167.275
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID30426395
• Wikidata: Q82239322
• Mol file: 42404-23-9.mol

Synonyms:2-(4-methylphenyl)sulfanylethylazanium;DTXSID30426395;AKOS030253943

Chemical Property of 2-(4-Methylphenyl)sulfanylethylazanium

Chemical Property:

• Vapor Pressure: 0.00826mmHg at 25°C
• Boiling Point: 267.2°Cat760mmHg
• PKA: 8.87±0.10(Predicted)
• Flash Point: 115.4°C
• PSA: 51.32000
• Density: 1.06g/cm³
• LogP: 2.74610
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 168.08469562
• Heavy Atom Count: 11
• Complexity: 97.7

Purity/Quality:

98%min ^*data from raw suppliers

2-[(4-Methylphenyl)thio]ethanamine 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)SCC[NH3+]

Technology Process of 2-(4-Methylphenyl)sulfanylethylazanium

There total 8 articles about 2-(4-Methylphenyl)sulfanylethylazanium 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: 98.0%

dimethylenecyclourethane (497-25-6) + para-thiocresol (106-45-6) → 2-(4-methylphenylthio)ethylamine (42404-23-9)

Guidance literature:

With NaOPr; In propan-1-ol; for 6h; Heating;

DOI:10.1055/s-1997-971

Reference yield: 95.0%

2-chloroethanamine hydrochloride (870-24-6) + para-thiocresol (106-45-6) → 2-(4-methylphenylthio)ethylamine (42404-23-9)

Guidance literature:

With caesium carbonate; In acetonitrile; at 50 ℃; for 48h;

Reference yield: 93.0%

N-<2-<(4-methylphenyl)thio>ethyl>propanamide (82772-76-7) → 2-(4-methylphenylthio)ethylamine (42404-23-9)

Guidance literature:

With hydrogenchloride; for 3h; Heating;

DOI:10.1021/jo00141a033

upstream raw materials:

2-nitroethanol nitrate

sodium p-thiocresolate

2-chloroethylcarbamic acid methyl ester

2-phthalimidoethyl p-tolyl sulphide

Downstream raw materials:

4-methyl-3-[2-(toluene-4-sulfinyl)-ethyl]-sydnone

2-<<2-<(4-methylphenyl)thio>ethyl>amino>-propanoic acid

Benzyl-(2-p-tolylsulfanyl-ethyl)-amine

benzyl (2-(p-tolylthio)ethyl)carbamate