2-Propanethiol, 1-(p-chloroanilino)-2-methyl-

Base Information

• Chemical Name: 2-Propanethiol, 1-(p-chloroanilino)-2-methyl-
• CAS No.: 54410-28-5
• Molecular Formula: C₁₀H₁₄ClNS
• Molecular Weight: 215.747
• DSSTox Substance ID: DTXSID50202810
• Wikidata: Q83076127

Synonyms:2-Propanethiol, 1-(p-chloroanilino)-2-methyl-;54410-28-5;DTXSID50202810;2-Propanethiol, 1-(p-chloroanilino)-2-methyl-,

Chemical Property of 2-Propanethiol, 1-(p-chloroanilino)-2-methyl-

Chemical Property:

• Vapor Pressure: 7.26E-05mmHg at 25°C
• Boiling Point: 343°Cat760mmHg
• Flash Point: 161.2°C
• Density: 1.169g/cm³
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 215.0535483
• Heavy Atom Count: 13
• Complexity: 153

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(CNC1=CC=C(C=C1)Cl)S

Technology Process of 2-Propanethiol, 1-(p-chloroanilino)-2-methyl-

There total 2 articles about 2-Propanethiol, 1-(p-chloroanilino)-2-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:

C20H22Cl2N2S2 (54410-20-7) → 1-(4-chloro-anilino)-2-methyl-propane-2-thiol (54410-28-5)

Guidance literature:

With sodium tetrahydroborate; In ethanol;

DOI:10.1021/jo00897a009

Reference yield:

4,4'-dichloro-N,N'-(2,2,5,5-tetramethyl-3,4-dithia-hexane-1,6-diyl)-bis-aniline (57443-10-4) → 1-(4-chloro-anilino)-2-methyl-propane-2-thiol (54410-28-5)

Guidance literature:

With lithium aluminium tetrahydride; In tetrahydrofuran;

DOI:10.1021/jo00865a016

Reference yield:

carbon disulfide (75-15-0,12122-00-8) + 1-(4-chloro-anilino)-2-methyl-propane-2-thiol (54410-28-5) → 3-(4-chloro-phenyl)-5,5-dimethyl-thiazolidine-2-thione (57443-16-0)

Guidance literature:

With sodium hydroxide; In ethanol;

DOI:10.1021/jo00865a016

upstream raw materials:

4,4'-dichloro-N,N'-(2,2,5,5-tetramethyl-3,4-dithia-hexane-1,6-diyl)-bis-aniline

C₂₀H₂₂Cl₂N₂S₂

Downstream raw materials:

3-(4-chloro-phenyl)-5,5-dimethyl-thiazolidine-2-thione

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