1,3-Dioctadecylthiourea

Base Information

• Chemical Name: 1,3-Dioctadecylthiourea
• CAS No.: 6973-25-7
• Molecular Formula: C37H76N2S
• Molecular Weight: 581.0777
• NSC Number: 44420
• DSSTox Substance ID: DTXSID00398095
• Nikkaji Number: J2.198.998C
• Mol file: 6973-25-7.mol

Synonyms:1,3-dioctadecylthiourea;6973-25-7;Dioctadecyl thiourea;NSC44420;Urea,3-dioctadecyl-2-thio-;WLN: 18MYUS&M18;SCHEMBL8979287;DTXSID00398095;Urea, 1,3-dioctadecyl-2-thio-;NSC-44420

Chemical Property of 1,3-Dioctadecylthiourea

Chemical Property:

• Vapor Pressure: 7.7E-16mmHg at 25°C
• Boiling Point: 631.2°Cat760mmHg
• Flash Point: 335.5°C
• Density: 0.877g/cm³
• XLogP3: 17.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 34
• Exact Mass: 580.57292161
• Heavy Atom Count: 40
• Complexity: 427

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCCCCCCCCCCCNC(=S)NCCCCCCCCCCCCCCCCCC

Technology Process of 1,3-Dioctadecylthiourea

There total 4 articles about 1,3-Dioctadecylthiourea 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: 95.0%

carbon disulfide (75-15-0,12122-00-8) + 1-aminooctadecane (124-30-1) → N,N'-di-n-octadecylthiourea (6973-25-7)

Guidance literature:

With water; In toluene; at 40 ℃; Sealed tube;

DOI:10.1021/jacs.9b02148

Reference yield: 93.0%

thiourea (17356-08-0) + 1-aminooctadecane (124-30-1) → N,N'-di-n-octadecylthiourea (6973-25-7)

Guidance literature:

With PEG-400; In water; for 0.00833333h; microwave irradiation;

DOI:10.1080/104265090968082

Reference yield:

1-isothiocyanatooctadecane (2877-26-1) + 1-aminooctadecane (124-30-1) → N,N'-di-n-octadecylthiourea (6973-25-7)

Guidance literature:

With diethyl ether;

DOI:10.1021/ja01525a057

upstream raw materials:

1-isothiocyanatooctadecane

1-aminooctadecane

thiourea

carbon disulfide

Downstream raw materials:

N,N’-dioctadecyl urea

Refernces

• 1、 Li, Zheng,Wang, Zhi-Yuan,Zhao, Yan-Long,Xing, Yu-Lin,Zhu, Wei. "An environmentally benign method for the synthesis of symmetrical N,N′-disubstituted thioureas in a water medium". . p. 2745 - 2750. Retrieved 2007/10/03.