Sodium toluene-p-thiolate

Base Information

• Chemical Name: Sodium toluene-p-thiolate
• CAS No.: 10486-08-5
• Molecular Formula: C7H8 S . Na
• Molecular Weight: 146.188
• European Community (EC) Number: 234-000-9
• DSSTox Substance ID: DTXSID90146789
• Nikkaji Number: J28.469F
• Mol file: 10486-08-5.mol

Synonyms:10486-08-5;4-Methylbenzenethiol sodium salt;Sodium toluene-p-thiolate;4-Methylbenzanethiol sodium;sodium;4-methylbenzenethiolate;EINECS 234-000-9;4-METHYLBENZENETHIOL, SODIUM SALT;sodium 4-methylbenzenethiolate;4-Methylbenzenethiol sodium salt, 98%;sodium p-toluenethiolate;sodium para-toluenethiolate;SCHEMBL96247;sodium (4-methylphenyl)sulfanide;DTXSID90146789;MFCD00066208;AKOS015916606;AKOS025212030;GS-6431;CS-0447525;FT-0697232;NS00086943;J-001274

Chemical Property of Sodium toluene-p-thiolate

Chemical Property:

• Vapor Pressure: 0.601mmHg at 25°C
• Melting Point: >300 °C(lit.)
• Boiling Point: 195°Cat760mmHg
• Flash Point: 69.5°C
• Density: g/cm³
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 146.01661568
• Heavy Atom Count: 9
• Complexity: 67.3

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-Methylbenzenethiol sodium salt 98% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)[S-].[Na+]
• Uses: 4-Methylbenzenethiol sodium salt is used as a pharmaceutical intermediate.

Technology Process of Sodium toluene-p-thiolate

There total 6 articles about Sodium toluene-p-thiolate 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: 55.4%

→ 1-[(4-Methylphenyl)sulfonyl]-4-[(4-methylphenyl)thio]piperidine (101768-17-6) + sodium p-thiocresolate (10486-08-5)

Guidance literature:

Reference yield:

di(p-tolyl) disulfide (103-19-5) + perylene radical anion; sodium salt → PERYLENE (198-55-0) + sodium p-thiocresolate (10486-08-5)

Guidance literature:

In tetrahydrofuran; at 23 ℃; Rate constant;

DOI:10.1021/ja00408a034

Reference yield:

para-thiocresol (106-45-6) → sodium p-thiocresolate (10486-08-5)

Guidance literature:

With sodium methylate; In methanol;

upstream raw materials:

d⁽⁴⁾-methanol

3-<2-<(4-methylphenyl)thio>ethyl>-4-methylsydnone

di(p-tolyl) disulfide

para-thiocresol

Downstream raw materials:

2-nitro-1,3-bis-p-tolylsulfanyl-benzene

(3-chloro-2-p-tolylsulfanyl-phenyl)-p-tolyl sulfone

2,4-bis-(toluene-4-sulfonyl)-1-p-tolylsulfanyl-benzene

1,5-dinitro-2,4-bis-p-tolylsulfanyl-benzene

Refernces

• 1、 Jüstel, Patrick M.,Ofial, Armin R.,Pignot, Cedric D.,Stan, Alexandra. "Inherent Reactivity of Spiro-Activated Electrophilic Cyclopropanes". supporting information. p. 15928 - 15935. Retrieved 2021/10/25.
• 2、 -. "PROCESS FOR THE SYNTHESIS OF N9-(3,5-DICHLORO-4-PYRIDYL)-6- DIFLUOROMETHOXYBENZO(4,5)FURO(3,2-C)PYRIDINE-9-CARBOXAMIDE AND SALTS THEREOF". Page/Page column 28. . Retrieved 2008/12/07.