1,3-(Bis(2-ethylphenyl))thiourea

Base Information

• Chemical Name: 1,3-(Bis(2-ethylphenyl))thiourea
• CAS No.: 5395-94-8
• Molecular Formula: C17H20 N2 S
• Molecular Weight: 284.425
• Hs Code.: 2930909090
• European Community (EC) Number: 226-410-1
• NSC Number: 683
• DSSTox Substance ID: DTXSID80202242
• Nikkaji Number: J42.867A
• Mol file: 5395-94-8.mol

Synonyms:5395-94-8;1,3-(Bis(2-ethylphenyl))thiourea;1,3-[bis(2-ethylphenyl)]thiourea;EINECS 226-410-1;Thiourea, N,N'-bis(2-ethylphenyl)-;AI3-52335;NSC683;2,2'-Diethylthio carbanilide;SCHEMBL9453905;DTXSID80202242;NSC 683;NSC-683;WYMLGVPROUZGCI-UHFFFAOYSA-N;N,N'-Bis(2-ethylphenyl)thiourea #;AKOS002272040

Chemical Property of 1,3-(Bis(2-ethylphenyl))thiourea

Chemical Property:

• Vapor Pressure: 1.32E-06mmHg at 25°C
• Boiling Point: 399.9°Cat760mmHg
• Flash Point: 195.7°C
• PSA: 56.15000
• Density: 1.168g/cm³
• LogP: 4.76630
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 284.13471982
• Heavy Atom Count: 20
• Complexity: 277

Purity/Quality:

99% ^*data from raw suppliers

1,3-BIS(2-ETHYLPHENYL)THIOUREA 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCC1=CC=CC=C1NC(=S)NC2=CC=CC=C2CC

Technology Process of 1,3-(Bis(2-ethylphenyl))thiourea

There total 2 articles about 1,3-(Bis(2-ethylphenyl))thiourea 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:

carbon disulfide (75-15-0,12122-00-8) + ortho-ethylaniline (578-54-1) → N,N'-bis-(2-ethyl-phenyl)-thiourea (5395-94-8)

Guidance literature:

In ethanol;

Reference yield:

ortho-ethylaniline (578-54-1) → N,N'-bis-(2-ethyl-phenyl)-thiourea (5395-94-8)

Guidance literature:

With potassium carbonate;

Reference yield:

N,N'-bis-(2-ethyl-phenyl)-thiourea (5395-94-8) → 1-ethyl-2-isothiocyanatobenzene (19241-19-1)

Guidance literature:

With phosphoric acid;

upstream raw materials:

ortho-ethylaniline

carbon disulfide

Downstream raw materials:

1-ethyl-2-isothiocyanatobenzene

Refernces

• 1、 Sharma,Swaika,Mittal,Sharma,Sindhwani. "Solution and molecular modeling studies on some bivalent metal complexes of higher analogues of biologically active 1,3-diaryl-4, 5, 6-pyrimidinetrione-2-thioxo-5-oxime". . p. 1076 - 1081. Retrieved 2007/10/03.