2,6-Diethylphenylthiourea

Base Information

• Chemical Name: 2,6-Diethylphenylthiourea
• CAS No.: 25343-30-0
• Molecular Formula: C₁₁H₁₆N₂S
• Molecular Weight: 208.327
• Hs Code.: 2930909090
• European Community (EC) Number: 674-302-1
• NSC Number: 176357
• UNII: Q734XI80JA
• DSSTox Substance ID: DTXSID60179988
• Nikkaji Number: J307.786A
• Mol file: 25343-30-0.mol

Synonyms:25343-30-0;2,6-diethylphenylthiourea;(2,6-diethylphenyl)thiourea;1-(2,6-Diethylphenyl)-2-thiourea;1-(2,6-diethylphenyl)thiourea;Thiourea, (2,6-diethylphenyl)-;n-(2,6-diethylphenyl)thiourea;Q734XI80JA;NSC-176357;Thiourea,N-(2,6-diethylphenyl)-;NSC176357;NSC 176357;Maybridge1_007108;UNII-Q734XI80JA;SCHEMBL11543470;HMS561L02;DTXSID60179988;MFCD00041166;AKOS001074749;MS-11541;THIOUREA, N-(2,6-DIETHYLPHENYL)-;CS-0237643;FT-0605496;EN300-18593;UREA, 1-(2,6-DIETHYLPHENYL)-2-THIO-;A817801;SR-01000065939;J-015947;SR-01000065939-1;Z85923132;1-(2,6-Diethylphenyl)thiourea;3-PHENYL-2-(4,4,4-TRIFLUORO-3-OXO-BUT-1-ENYLAMINO)-PROPIONICACID

Chemical Property of 2,6-Diethylphenylthiourea

Chemical Property:

• Vapor Pressure: 0.000341mmHg at 25°C
• Melting Point: 319.3 °C at 760 mmHg
• Refractive Index: 1.637
• Boiling Point: 319.3°C at 760 mmHg
• Flash Point: 146.9 °C
• PSA: 70.14000
• Density: 1.137 g/cm³
• LogP: 3.24020
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 208.10341969
• Heavy Atom Count: 14
• Complexity: 182

Purity/Quality:

97% ^*data from raw suppliers

2,6-Diethylphenylthiourea ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R25:Toxic if swallowed.
• Hazard Codes: R25:Toxic if swallowed.
• Statements: R25:Toxic if swallowed.
• Safety Statements: S22:Do not inhale dust.; S36/37:Wear suitable protective clothing and gloves.; S45:In case of accident of if you f

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC1=C(C(=CC=C1)CC)NC(=S)N

Technology Process of 2,6-Diethylphenylthiourea

There total 2 articles about 2,6-Diethylphenylthiourea 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: 39.0%

→ 1-(2,6-diethylphenyl)thiourea (25343-30-0)

Guidance literature:

With hydrogenchloride; In water; at 100 ℃; for 20h;

Reference yield:

2,6-diethylaniline (579-66-8) + ammonium thiocyanate (1147550-11-5) → 1-(2,6-diethylphenyl)thiourea (25343-30-0)

Guidance literature:

With hydrogenchloride; at 100 ℃;

DOI:10.1016/j.ejmech.2007.01.016

Reference yield: 72.0%

1-(2,6-diethylphenyl)thiourea (25343-30-0) + 3-(2-bromoacetyl)pyridine hydrobromide (17694-68-7) → C5H4NC3HSN2HC6H3(CH2CH3)2*HBr

Guidance literature:

HMCM-41; In methanol; Heating;

DOI:10.1016/j.ejmech.2007.01.016

upstream raw materials:

2,6-diethylaniline

ammonium thiocyanate

Downstream raw materials:

2-(2,6-diethyl-phenylamino)-4-trifluoromethyl-thiazole-5-carboxylic acid cyclopropylmethyl-propyl-amide