2-Ethyl-thiobenzamide

Base Information

• Chemical Name: 2-Ethyl-thiobenzamide
• CAS No.: 885280-16-0
• Molecular Formula: C₉H₁₁NS
• Molecular Weight: 165.259
• DSSTox Substance ID: DTXSID30605224
• Wikidata: Q82503429
• Mol file: 885280-16-0.mol

Synonyms:2-ETHYL-THIOBENZAMIDE;885280-16-0;2-ETHYLBENZOTHIOAMIDE;2-ethylbenzenecarbothioamide;2-ETHYLBENZENE-1-CARBOTHIOAMIDE;ethyl-thiobenzamide;SCHEMBL6894755;SCHEMBL11605474;DTXSID30605224;ZQDMKVFNIVOKBB-UHFFFAOYSA-N;AKOS011677287;AB26904;F13433;EN300-1869624

Chemical Property of 2-Ethyl-thiobenzamide

Chemical Property:

• PSA: 58.11000
• LogP: 2.58350
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 165.06122053
• Heavy Atom Count: 11
• Complexity: 145

Purity/Quality:

98%min ^*data from raw suppliers

2-Ethyl-thiobenzamide 96% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-Ethyl-thiobenzamide

There total 6 articles about 2-Ethyl-thiobenzamide 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:

o-ethylbenzonitrile (34136-59-9) → 2-ethyl-thiobenzoic acid amide (885280-16-0)

Guidance literature:

With ammonium sulfide; ethanol; at 110 ℃; im Druckrohr;

Reference yield:

2-acetyl-benzoic acid (577-56-0) → 2-ethyl-thiobenzoic acid amide (885280-16-0)

Guidance literature:

Multi-step reaction with 4 steps

1: alkali; sodium amalgam / Behandeln mit Salzsaeure

2: hydriodic acid; yellow phosphorus / 137 °C

3: 200 °C

4: alcohol; ammonium sulfide / 110 °C / im Druckrohr

With sodium amalgam; ammonium sulfide; phosphorous; ethanol; hydrogen iodide;

Reference yield:

3-methylphthalide (3453-64-3) → 2-ethyl-thiobenzoic acid amide (885280-16-0)

Guidance literature:

Multi-step reaction with 3 steps

1: hydriodic acid; yellow phosphorus / 137 °C

2: 200 °C

3: alcohol; ammonium sulfide / 110 °C / im Druckrohr

With ammonium sulfide; phosphorous; ethanol; hydrogen iodide;

upstream raw materials:

o-ethylbenzonitrile

2-acetyl-benzoic acid

3-methylphthalide

2-ethylbenzoyl chloride