4-Ethoxybenzenethiol

Base Information

• Chemical Name: 4-Ethoxybenzenethiol
• CAS No.: 699-09-2
• Molecular Formula: C8H10OS
• Molecular Weight: 154.233
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID90429307
• Nikkaji Number: J793.664H
• Wikidata: Q82242310
• Mol file: 699-09-2.mol

Synonyms:4-ethoxybenzenethiol;699-09-2;4-ethoxybenzene-1-thiol;p-ethoxythiophenol;4-Ethoxythiophenol;p-ethoxybenzenethiol;SCHEMBL2643041;DTXSID90429307;OXWOIUVGAWIZQQ-UHFFFAOYSA-N;HMS1776E09;AKOS009085878;AT20902;EN300-23919;Z166646982

Chemical Property of 4-Ethoxybenzenethiol

Chemical Property:

• Vapor Pressure: 0.067mmHg at 25°C
• Melting Point: 1.6°C
• Refractive Index: 1.555
• Boiling Point: 237.999°C at 760 mmHg
• Flash Point: 100.23°C
• PSA: 48.03000
• Density: 1.082g/cm³
• LogP: 2.37400
• XLogP3: 2.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 154.04523611
• Heavy Atom Count: 10
• Complexity: 87.3

Purity/Quality:

98%Min ^*data from raw suppliers

4-ethoxybenzene-1-thiol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCOC1=CC=C(C=C1)S

Technology Process of 4-Ethoxybenzenethiol

There total 14 articles about 4-Ethoxybenzenethiol 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: 68.0%

4-ethoxybenzenesulphonyl chloride (1132-17-8) → 4-ethoxy-benzenethiol (699-09-2)

Guidance literature:

With phosphorus; iodine; In acetic acid; for 5h; Heating;

DOI:10.1135/cccc19821382

Reference yield:

[Dimethylamino-(4-ethoxy-phenylsulfanyl)-methylene]-dimethyl-ammonium; iodide → 4-ethoxy-benzenethiol (699-09-2) + tetramethylurea (632-22-4)

Guidance literature:

at 20 ℃; Rate constant; pH=11;

DOI:10.1002/ardp.19873200304

Reference yield:

bis-(4-ethoxy-phenyl)-disulfide (31121-13-8) → 4-ethoxy-benzenethiol (699-09-2)

Guidance literature:

With hydrogenchloride; triphenylphosphine; In 1,4-dioxane; water;

upstream raw materials:

4-ethoxybenzenediazonium

4-Ethoxyaniline

4-ethoxybenzenesulphonyl chloride

hydrogenchloride

Downstream raw materials:

4-ethoxyphenyl ethyl sulfide

1-ethoxy-4-((E)-1,2-dichloro-vinylmercapto)-benzene

1-ethoxy-4-(2-iodo-4-nitro-phenylsulfanyl)-benzene

1-ethoxy-4-(2,6-diiodo-4-nitro-phenylsulfanyl)-benzene