5-Amino-2-ethylbenzene-1-thiol

Base Information

• Chemical Name: 5-Amino-2-ethylbenzene-1-thiol
• CAS No.: 89189-33-3
• Molecular Formula: C₈H₁₁NS
• Molecular Weight: 153.248
• DSSTox Substance ID: DTXSID40531580
• Wikidata: Q82403548

Synonyms:89189-33-3;5-Amino-2-ethylbenzene-1-thiol;SCHEMBL8781072;DTXSID40531580

Chemical Property of 5-Amino-2-ethylbenzene-1-thiol

Chemical Property:

• Boiling Point: 166-170 °C(Press: 2 Torr)
• PSA: 64.82000
• Density: 1.117±0.06 g/cm3(Predicted)
• LogP: 2.70110
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 153.06122053
• Heavy Atom Count: 10
• Complexity: 105

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=C(C=C(C=C1)N)S

Technology Process of 5-Amino-2-ethylbenzene-1-thiol

There total 2 articles about 5-Amino-2-ethylbenzene-1-thiol 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: 59.0%

2-ethyl-5-nitrobenzene-1-sulphonyl chloride (89189-34-4) → 4-ethyl-3-mercaptoaniline (89189-33-3)

Guidance literature:

With hydrogenchloride; tin; for 2h; Heating;

Reference yield:

4-ethylnitrobenzene (100-12-9,94234-68-1,34527-20-3) → 4-ethyl-3-mercaptoaniline (89189-33-3)

Guidance literature:

With chlorosulfonic acid; und Erhitzen des entstandenen 2-Aethyl-5-nitro-benzolsulfonylchlorids mit Zinn und wss.HCl;

DOI:10.1021/jo01109a001

Reference yield: 65.2%

4-ethyl-3-mercaptoaniline (89189-33-3) → 6-aminobenzothiophene (5339-33-3)

Guidance literature:

H 3-10 (BASF); at 470 ℃; for 1.5h;

upstream raw materials:

4-ethylnitrobenzene

2-ethyl-5-nitrobenzene-1-sulphonyl chloride

Downstream raw materials:

6-aminobenzothiophene

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