4-(Ethenylsulfanyl)aniline

Base Information

• Chemical Name: 4-(Ethenylsulfanyl)aniline
• CAS No.: 63930-39-2
• Molecular Formula: C8H9NS
• Molecular Weight: 151.232
• DSSTox Substance ID: DTXSID10522268
• Nikkaji Number: J1.235.284K
• Wikidata: Q82387395
• Mol file: 63930-39-2.mol

Synonyms:4-(Ethenylsulfanyl)aniline;63930-39-2;Benzenamine, 4-(ethenylthio)-;4-ethenylsulfanylaniline;DTXSID10522268

Chemical Property of 4-(Ethenylsulfanyl)aniline

Chemical Property:

• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 151.04557046
• Heavy Atom Count: 10
• Complexity: 106

Purity/Quality:

>95.00% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CSC1=CC=C(C=C1)N

Technology Process of 4-(Ethenylsulfanyl)aniline

There total 3 articles about 4-(Ethenylsulfanyl)aniline 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: 92.0%

calcium carbide (75-20-7) + 4-aminotiophenol (1193-02-8) → 4-aminophenyl vinyl sulfide (63930-39-2)

Guidance literature:

With water; potassium hydroxide; In N,N-dimethyl-formamide; at 100 ℃; for 3h; Inert atmosphere; Sealed tube; Green chemistry;

DOI:10.1039/c5gc01552a

Reference yield: 18.6%

para-nitrophenyl bromide (586-78-7) + acetylene (74-86-2,25067-58-7) → divinyl sulfide (627-51-0) + p-nitrophenyl vinyl sulphide (42150-17-4) + 4-aminophenyl vinyl sulfide (63930-39-2) + 4-bromo-aniline (106-40-1)

Guidance literature:

With sodium sulfide; In dimethyl sulfoxide; at 100 ℃;

Reference yield:

→ 4-aminophenyl vinyl sulfide (63930-39-2)

Guidance literature:

entspr. Nitro-Verb., Fe / HCOOH;

upstream raw materials:

para-nitrophenyl bromide

acetylene

calcium carbide

4-aminotiophenol