N,N,2-triethylbenzenecarbothioamide

Base Information

• Chemical Name: N,N,2-triethylbenzenecarbothioamide
• CAS No.: 619314-51-1
• Molecular Formula: C₁₃H₁₉NS
• Molecular Weight: 221.367
• DSSTox Substance ID: DTXSID40451315
• Nikkaji Number: J2.005.945A
• Mol file: 619314-51-1.mol

Synonyms:N,N,2-triethylbenzenecarbothioamide;619314-51-1;N,N,2-Triethylbenzothioamide;DTXSID40451315;N,N,2-Triethylbenzene-1-carbothioamide

Chemical Property of N,N,2-triethylbenzenecarbothioamide

Chemical Property:

• Boiling Point: 308.8±35.0 °C(Predicted)
• PKA: 1.35±0.50(Predicted)
• PSA: 35.33000
• Density: 1.013±0.06 g/cm3(Predicted)
• LogP: 3.26630
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 221.12382078
• Heavy Atom Count: 15
• Complexity: 199

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=CC=CC=C1C(=S)N(CC)CC

Technology Process of N,N,2-triethylbenzenecarbothioamide

There total 1 articles about N,N,2-triethylbenzenecarbothioamide 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:

2-ethylphenylmagnesium bromide (21450-63-5) + N,N-diethylthiocarbamoyl chloride (88-11-9) → N,N-diethyl-2-ethylbenzenecarbothioamide (619314-51-1)

Guidance literature:

bis(triphenylphosphine)nickel(II) chloride; In tetrahydrofuran; at 20 ℃; for 3h;

DOI:10.1002/ejoc.200300233

upstream raw materials:

2-ethylphenylmagnesium bromide

N,N-diethylthiocarbamoyl chloride