Benzenecarbothioamide, N-(4-chlorophenyl)-4-methyl-

Base Information

• Chemical Name: Benzenecarbothioamide, N-(4-chlorophenyl)-4-methyl-
• CAS No.: 101078-48-2
• Molecular Formula: C14H12 Cl N S
• Molecular Weight: 261.775
• DSSTox Substance ID: DTXSID40143723
• Nikkaji Number: J1.248.147K
• Mol file: 101078-48-2.mol

Synonyms:101078-48-2;Benzenecarbothioamide, N-(4-chlorophenyl)-4-methyl-;DTXSID40143723;AKOS001026859;N-(4-Chlorophenyl)-4-methylthiobenzamide;N-(4-chlorophenyl)-4-methyl-benzenecarbothioamide

Chemical Property of Benzenecarbothioamide, N-(4-chlorophenyl)-4-methyl-

Chemical Property:

• Vapor Pressure: 1.15E-05mmHg at 25°C
• Boiling Point: 369.9°C at 760 mmHg
• Flash Point: 177.5°C
• Density: 1.28g/cm³
• XLogP3: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 261.0378983
• Heavy Atom Count: 17
• Complexity: 253

Purity/Quality:

98%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)C(=S)NC2=CC=C(C=C2)Cl

Technology Process of Benzenecarbothioamide, N-(4-chlorophenyl)-4-methyl-

There total 5 articles about Benzenecarbothioamide, N-(4-chlorophenyl)-4-methyl- 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: 95.0%

N-(4-chlorophenyl)formamide (2617-79-0) + 4-methyl-benzaldehyde (104-87-0) → N-(4-chlorophenyl)-4-methylbenzothioamide (101078-48-2)

Guidance literature:

With sulfur; sodium carbonate; triethylamine; In water; at 120 ℃; for 12h; Inert atmosphere; Sealed tube;

DOI:10.1080/17415993.2020.1722818

Reference yield: 92.0%

1-ethenyl-4-methylbenzene (622-97-9,24936-41-2) + 4-chloro-aniline (106-47-8) → N-(4-chlorophenyl)-4-methylbenzothioamide (101078-48-2)

Guidance literature:

With potassium fluoride; sulfur; In dimethyl sulfoxide; at 100 ℃; for 24h; Schlenk technique; Inert atmosphere;

Reference yield: 88.0%

N-(4-chlorophenyl)-4-methylbenzamide (33667-89-9) → N-(4-chlorophenyl)-4-methylbenzothioamide (101078-48-2)

Guidance literature:

With tetraphosphorus decasulfide; In pyridine; for 3h; Heating;

upstream raw materials:

N-(4-chlorophenyl)-4-methylbenzamide

4-methyl-benzoyl chloride

p-Toluic acid

1-ethenyl-4-methylbenzene

Downstream raw materials:

2-(4-methylphenyl)-7-methoxybenzothiazole

6-chloro-2-(p-tolyl)benzo[d]thiazole

2-p-Tolyl-benzothiazol-7-ol

Acetic acid 2-p-tolyl-benzothiazol-7-yl ester

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