2-{[(4-Chlorophenyl)methyl]sulfanyl}ethan-1-aminium

Base Information

• Chemical Name: 2-{[(4-Chlorophenyl)methyl]sulfanyl}ethan-1-aminium
• CAS No.: 60116-21-4
• Molecular Formula: C9H12 Cl N S
• Molecular Weight: 202.7237
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID40975546
• Wikidata: Q82960179
• Mol file: 60116-21-4.mol

Synonyms:DTXSID40975546;2-{[(4-Chlorophenyl)methyl]sulfanyl}ethan-1-aminium

Chemical Property of 2-{[(4-Chlorophenyl)methyl]sulfanyl}ethan-1-aminium

Chemical Property:

• Vapor Pressure: 0.000961mmHg at 25°C
• Boiling Point: 302.9°Cat760mmHg
• Flash Point: 137°C
• PSA: 51.32000
• Density: g/cm³
• LogP: 3.23220
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 202.0457233
• Heavy Atom Count: 12
• Complexity: 113

Purity/Quality:

99% ^*data from raw suppliers

{2-[(4-chlorobenzyl)thio]ethyl}amine ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CSCC[NH3+])Cl

Technology Process of 2-{[(4-Chlorophenyl)methyl]sulfanyl}ethan-1-aminium

There total 3 articles about 2-{[(4-Chlorophenyl)methyl]sulfanyl}ethan-1-aminium 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:

Cysteamine (60-23-1) → 2-(4-chloro-benzylsulfanyl)-ethylamine (60116-21-4)

Guidance literature:

With lithium hydroxide; In methanol; water; at 20 ℃; for 2h;

DOI:10.1002/anie.201711277

Reference yield:

(2-chloro-ethyl)-(4-chloro-benzyl)-sulfide (71501-38-7) → 2,2'-bis(4-chlorobenzylthio)diethylamine (61455-06-9) + 2-(4-chloro-benzylsulfanyl)-ethylamine (60116-21-4)

Guidance literature:

With ammonia; at 140 ℃;

DOI:10.1139/v59-041

Reference yield:

ethyleneimine (151-56-4,9002-98-6) + (4-chlorophenyl)methanethiol (6258-66-8) → 2-(4-chloro-benzylsulfanyl)-ethylamine (60116-21-4)

Guidance literature:

With ethane;

upstream raw materials:

ethyleneimine

(4-chlorophenyl)methanethiol

(2-chloro-ethyl)-(4-chloro-benzyl)-sulfide

Cysteamine

Downstream raw materials:

2,6-dichloro-N-[2-(4-chloro-benzylsulfanyl)-ethyl]-benzamide

C₁₉H₁₆ClNO₂S₂

C₁₉H₁₆ClNO₂S₂

N-[2-(4-Chloro-benzylsulfanyl)-ethyl]-N'-[3-(1H-imidazol-4-yl)-propyl]-guanidine; hydrochloride

Refernces