1-Hexyl-3-phenyl-2-thiourea

Base Information

• Chemical Name: 1-Hexyl-3-phenyl-2-thiourea
• CAS No.: 15153-13-6
• Molecular Formula: C13H20N2S
• Molecular Weight: 236.381
• Hs Code.: 2930909090
• European Community (EC) Number: 674-170-5
• NSC Number: 105168
• DSSTox Substance ID: DTXSID00374718
• Nikkaji Number: J122.240F
• Mol file: 15153-13-6.mol

Synonyms:1-Hexyl-3-phenyl-2-thiourea;15153-13-6;1-hexyl-3-phenylthiourea;Thiourea, N-hexyl-N'-phenyl-;Urea, 1-hexyl-3-phenyl-2-thio-;N-Phenyl-N'-hexylthiourea;Thiourea,N-hexyl-N'-phenyl-;3-hexyl-1-phenylthiourea;NSC105168;n-Hexyl-N'-phenylthiourea;1-hexyl-3-phenyl-thiourea;3-n-hexyl-1-phenylthiourea;NCIOpen2_007324;n-Hexyl-N'-phenylthiourea #;SCHEMBL10667599;DTXSID00374718;MFCD00060425;STK792321;AKOS002161302;NSC-105168;NCGC00323353-01;FT-0637193;AB01318308-02;A809187;J-008817;Z45796232

Chemical Property of 1-Hexyl-3-phenyl-2-thiourea

Chemical Property:

• Vapor Pressure: 0.000158mmHg at 25°C
• Melting Point: 104 °C
• Refractive Index: 1.587
• Boiling Point: 331.2 °C at 760 mmHg
• PKA: 12.75±0.70(Predicted)
• Flash Point: 154.1 °C
• PSA: 56.15000
• Density: 1.066 g/cm³
• LogP: 4.01720
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 236.13471982
• Heavy Atom Count: 16
• Complexity: 188

Purity/Quality:

99% ^*data from raw suppliers

1-Hexyl-3-phenyl-2-thiourea ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCNC(=S)NC1=CC=CC=C1

Technology Process of 1-Hexyl-3-phenyl-2-thiourea

There total 6 articles about 1-Hexyl-3-phenyl-2-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: 99.0%

hexan-1-amine (111-26-2) + phenyl isothiocyanate (103-72-0) → N-phenyl-N'-hexylthiourea (15153-13-6)

Guidance literature:

In dichloromethane; at 20 ℃;

DOI:10.1039/c1cc12439k

Reference yield: 97.0%

hexan-1-amine (111-26-2) + N-phenyl-O-phenylthiocarbamate (2423-29-2) → N-phenyl-N'-hexylthiourea (15153-13-6)

Guidance literature:

In water; at 100 ℃; for 0.5h; Green chemistry;

DOI:10.3184/174751916X14760947474916

Reference yield:

n-hexyl isocyanide (15586-23-9) + aniline (62-53-3) → N-phenyl-N'-hexylthiourea (15153-13-6)

Guidance literature:

With ethanol; sulfur;

DOI:10.1007/BF00901130

upstream raw materials:

hexan-1-amine

phenyl isothiocyanate

n-hexyl isocyanide

aniline

Downstream raw materials:

N-hexyl-N′-phenylcarbodiimide

N-hex-5-yn-1-yl-N'-phenylcarbodiimide

C₁₄H₂₀N₄

Refernces

• 1、 -. "METHODS OF PRODUCING METAL SUFLIDES, METAL SELENIDES, AND METAL SULFIDES/SELENIDES HAVING CONTROLLED ARCHITECTURES USING KINETIC CONTROL". Paragraph 0204; 0205; 0214. . Retrieved 2017/05/28.
• 2、 Hendricks, Mark P.,Campos, Michael P.,Cleveland, Gregory T.,Plante, Ilan Jen-La,Owen, Jonathan S.. "A Tunable library of substituted thiourea precursors to metal sulfide nanocrystals". . p. 1226 - 1230. Retrieved 2015/06/22.