4-Methoxybenzenethiolate

Base Information

• Chemical Name: 4-Methoxybenzenethiolate
• CAS No.: 26971-83-5
• Molecular Formula: C₇H₇OS
• Molecular Weight: 139.198
• DSSTox Substance ID: DTXSID001300330
• Nikkaji Number: J345.128C
• Mol file: 26971-83-5.mol

Synonyms:4-methoxybenzenethiolate;DTXSID001300330;Benzenethiol, 4-methoxy-, ion(1-);26971-83-5

Chemical Property of 4-Methoxybenzenethiolate

Chemical Property:

• XLogP3: 2.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 139.02176102
• Heavy Atom Count: 9
• Complexity: 77

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC=C(C=C1)[S-]

Technology Process of 4-Methoxybenzenethiolate

There total 5 articles about 4-Methoxybenzenethiolate 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:

S-(4-methoxyphenyl) thiocarbamate (95062-73-0) → isocyanic acid (75-13-8) + 4-methoxybenzenethiolate (26971-83-5)

Guidance literature:

With hydroxide; In water; at 25 ℃; Rate constant; pH 6.0-8.0;

Reference yield:

C20H17NO3S(1-) → 4-nitrodiphenylmethyl radical (30473-01-9) + 4-methoxybenzenethiolate (26971-83-5)

Guidance literature:

With tetrabutylammonium perchlorate; In N,N-dimethyl-formamide; at -24 - 34 ℃; Rate constant; Thermodynamic data; ΔH(excit.), ΔS(excit.), ΔG(excit.);

DOI:10.1021/ja960735x

Reference yield:

1-[(4-methoxyphenyl)thio]-2,4-dinitrobenzene (1871-44-9) → 4-methoxybenzenethiolate (26971-83-5) + 2,4-dinitrophenolate (20350-26-9)

Guidance literature:

With sodium hydroxide; In ethanol; at 25 ℃; Kinetics;

upstream raw materials:

S-(4-methoxyphenyl) thiocarbamate

4-methoxy-phenylsulfanyl

p-methoxyphenolate

recorcinol monoanion

Downstream raw materials:

4-Methoxybenzenethiol

cyclohexyl-4-methoxyphenyl sulfide

1-(butylsulfanyl)-4-methoxybenzene

4-methoxy-phenylsulfanyl