4-Ethoxybenzenecarbothioamide

Base Information

• Chemical Name: 4-Ethoxybenzenecarbothioamide
• CAS No.: 57774-79-5
• Molecular Formula: C9H11NOS
• Molecular Weight: 181.258
• Hs Code.: 2930909090
• European Community (EC) Number: 678-893-7
• DSSTox Substance ID: DTXSID40368691
• Mol file: 57774-79-5.mol

Synonyms:4-ethoxybenzenecarbothioamide;57774-79-5;4-Ethoxybenzothioamide;4-ethoxythiobenzamide;4-ethoxybenzene-1-carbothioamide;p-Ethoxythiobenzamide;4-ethoxythiobenzamid;4-ethoxy-benzenecarbothioamide;SCHEMBL5309757;DTXSID40368691;4-Ethoxythiobenzamide, AldrichCPR;AREJPGXIKMXBIQ-UHFFFAOYSA-N;MFCD04629622;AKOS000218110;NCGC00323162-01;AS-57778;CS-0220721;FT-0692473;EN300-07372;AB01318856-02;Z56953071

Chemical Property of 4-Ethoxybenzenecarbothioamide

Chemical Property:

• Vapor Pressure: 0.000989mmHg at 25°C
• Melting Point: 160-164°C
• Refractive Index: 1.602
• Boiling Point: 302.5 °C at 760 mmHg
• PKA: 12.89±0.29(Predicted)
• Flash Point: 136.7 °C
• PSA: 67.34000
• Density: 1.158g/cm³
• LogP: 2.41980
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 181.05613515
• Heavy Atom Count: 12
• Complexity: 153

Purity/Quality:

98%Min ^*data from raw suppliers

4-Ethoxythiobenzamide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=CC=C(C=C1)C(=S)N

Technology Process of 4-Ethoxybenzenecarbothioamide

There total 3 articles about 4-Ethoxybenzenecarbothioamide 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:

4-ethoxybenzonitrile (25117-74-2) → 4-Ethoxythiobenzamid (57774-79-5)

Guidance literature:

With ethanol; ammonia; anschliessend Saettigen mit Schwefelwasserstoff;

DOI:10.1021/ja01290a045

Reference yield:

Benzoyl isothiocyanate (532-55-8) + Phenetole (103-73-1) → 4-Ethoxythiobenzamid (57774-79-5)

Guidance literature:

With aluminium trichloride;

Reference yield:

→ 4-Ethoxythiobenzamid (57774-79-5)

Guidance literature:

Ethoxybenzol, Ethoxycarbonylisothiocyanat/AlCl3;

DOI:10.1021/jo00868a013

upstream raw materials:

4-ethoxybenzonitrile

Benzoyl isothiocyanate

Phenetole

Downstream raw materials:

2-(4-Ethoxyphenyl)5,6-diphenyl-4H-1,3-oxazin-4-on

5-Benzoyl-2-(4-ethoxyphenyl)-4-phenylthiazol

5,6-Bis(4-chlorphenyl)-2-(4-ethoxyphenyl)-4H-1,3-oxazin-4-on

5-(4-Chlorbenzoyl)-4-(4-chlorphenyl)-2-(4-ethoxyphenyl)thiazol