3-Ethoxythiophenol

Base Information

• Chemical Name: 3-Ethoxythiophenol
• CAS No.: 86704-82-7
• Molecular Formula: C8H10OS
• Molecular Weight: 154.233
• Hs Code.: 2930909090
• European Community (EC) Number: 623-322-9
• DSSTox Substance ID: DTXSID10371298
• Wikidata: Q72472089
• Mol file: 86704-82-7.mol

Synonyms:3-Ethoxythiophenol;3-ethoxybenzenethiol;86704-82-7;3-Ethoxy thiophenol;3-ethoxybenzene-1-thiol;3-Ethoxythiophenol, 97%;SCHEMBL443209;DTXSID10371298;RTJMJGJLVSKSEB-UHFFFAOYSA-N;MFCD03094660;AKOS015897479;BS-44039;CS-0299345;E0701;FT-0615617;EN300-673762;T73015;A841800;J-512418

Chemical Property of 3-Ethoxythiophenol

Chemical Property:

• Vapor Pressure: 0.0577mmHg at 25°C
• Refractive Index: n20/D 1.5706(lit.)
• Boiling Point: 240.8 °C at 760 mmHg
• Flash Point: 99.4 °C
• PSA: 48.03000
• Density: 1.081 g/cm³
• LogP: 2.37400
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 154.04523611
• Heavy Atom Count: 10
• Complexity: 95.3

Purity/Quality:

99% ^*data from raw suppliers

3-Ethoxybenzenethiol >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=CC(=CC=C1)S
• Uses: 3-ethoxythiophenol (ETP) ) may be used to functionalize gold nanoparticles for developing:Partially selective gold nanoparticle chemiresistor sensors for the quantification of benzene, toluene, ethylbenzene, p-xylene and naphthalene (BTEXN) in water samplesFlexible and tunable sensor based on monolayer-capped nanoparticles (MCNPs), with potential application in e-skin devices.gold nanoparticle-based flexible sensor array

Technology Process of 3-Ethoxythiophenol

There total 7 articles about 3-Ethoxythiophenol 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: 68.5%

3-ethoxyiodobenzene (29052-00-4) → 3-ethoxybenzenethiol (86704-82-7)

Guidance literature:

3-ethoxyiodobenzene; With copper(l) iodide; potassium carbonate; sulfur; In N,N-dimethyl-formamide; at 90 ℃; for 12h; Inert atmosphere;

With sodium tetrahydroborate; In tetrahydrofuran; for 32h; Inert atmosphere;

DOI:10.1142/S1088424617500389

Reference yield:

[Dimethylamino-(3-ethoxy-phenylsulfanyl)-methylene]-dimethyl-ammonium; iodide → 3-ethoxybenzenethiol (86704-82-7) + tetramethylurea (632-22-4)

Guidance literature:

at 20 ℃; Rate constant; pH=11;

DOI:10.1002/ardp.19873200304

Reference yield:

2,5-dichlorbenzenethiol (5858-18-4) → 3-ethoxybenzenethiol (86704-82-7)

Guidance literature:

With potassium acetate; In 2-methoxy-ethanol;

upstream raw materials:

m-phenetidine

sulfuric acid

3-ethoxybenzene-1-sulfonyl chloride

2,5-dichlorbenzenethiol

Downstream raw materials:

(+/-)-Methyl-(3-ethoxy-phenyl)-sulfoxid

Refernces

• 1、 Tait,Parenti,Di Bella,Bondi,Quaglio. "S-Aryl(tetramethyl)isothiouronium salts as potential antimicrobial agents, II". . p. 203 - 210. Retrieved 2007/10/02.