2H-Indole-2-thione, 1,3-dihydro-1,3-dimethyl-

Base Information

• Chemical Name: 2H-Indole-2-thione, 1,3-dihydro-1,3-dimethyl-
• CAS No.: 13637-41-7
• Molecular Formula: C₁₀H₁₁NS
• Molecular Weight: 177.27
• DSSTox Substance ID: DTXSID80929346
• ChEMBL ID: CHEMBL346029

Synonyms:2H-Indole-2-thione, 1,3-dihydro-1,3-dimethyl-;13637-41-7;BRN 1527851;1,3-Dimethyl-2-indolinethione;2-INDOLINETHIONE, 1,3-DIMETHYL-;1,3-Dihydro-1,3-dimethyl-2H-indole-2-thione;5-21-08-00080 (Beilstein Handbook Reference);1-methyl-3-methylthiooxindole;CHEMBL346029;SCHEMBL11438801;DTXSID80929346;TYFJUZPJHYOUES-UHFFFAOYSA-N;LS-83481;1,3-dimethyl-1,3-dihydro-2H-indole-2-thione

Chemical Property of 2H-Indole-2-thione, 1,3-dihydro-1,3-dimethyl-

Chemical Property:

• Vapor Pressure: 0.0409mmHg at 25°C
• Boiling Point: 239.1°Cat760mmHg
• Flash Point: 98.4°C
• Density: 1.18g/cm³
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 177.06122053
• Heavy Atom Count: 12
• Complexity: 202

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1C2=CC=CC=C2N(C1=S)C

Technology Process of 2H-Indole-2-thione, 1,3-dihydro-1,3-dimethyl-

There total 2 articles about 2H-Indole-2-thione, 1,3-dihydro-1,3-dimethyl- 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: 68.0%

N-Methyl-N-(1-propynylthio)-benzenamine (104501-67-9) → 1,3-dihydro-1,3-dimethyl-2H-indole-2-thione (13637-41-7)

Guidance literature:

In benzene; for 3h; Heating;

DOI:10.1055/s-1985-31400

Reference yield:

→ 1,3-dihydro-1,3-dimethyl-2H-indole-2-thione (13637-41-7)

Guidance literature:

1,3-Dimethyl-indolin-2-on (V), P2S5, in sd. Toluol (2h), Hauptprod.;

Reference yield:

1,3-dihydro-1,3-dimethyl-2H-indole-2-thione (13637-41-7) + phenyl isocyanate (103-71-9) → 1,3-dihydro-1,3-dimethyl-N-phenyl-2-thioxo-2H-indole-3-carboxamide

Guidance literature:

With sodium hydride; Yield given. Multistep reaction; 1.) THF, 2.) THF, 1 h;

DOI:10.1021/jm00039a016

upstream raw materials:

N-Methyl-N-(1-propynylthio)-benzenamine

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