Urea, 1,3-diisobutyl-2-thio-

Base Information

• Chemical Name: Urea, 1,3-diisobutyl-2-thio-
• CAS No.: 29214-81-1
• Molecular Formula: C9H20 N2 S
• Molecular Weight: 188.337
• Hs Code.: 2930909090
• European Community (EC) Number: 249-520-1
• DSSTox Substance ID: DTXSID10183474
• Nikkaji Number: J48.911E
• Mol file: 29214-81-1.mol

Synonyms:29214-81-1;Urea, 1,3-diisobutyl-2-thio-;1,3-bis(2-methylpropyl)thiourea;N,N'-DIISOBUTYLTHIOUREA;Diisobutyl thiourea;NN'-Di-iso-butylthiourea;1,3-diisobutylthiourea;1,3-(Diisobutyl)thiourea;BRN 1760147;EINECS 249-520-1;N,N'-di-iso-Butylthiourea;0-04-00-00169 (Beilstein Handbook Reference);N,N'-di-i-butylthiourea;SCHEMBL1276677;DTXSID10183474;YFIXICPADGNMGZ-UHFFFAOYSA-N;MFCD00015042;AKOS003718926;Thiourea, N,N'-bis(2-methylpropyl)-;LS-159877;FT-0675990

Chemical Property of Urea, 1,3-diisobutyl-2-thio-

Chemical Property:

• Boiling Point: 240.7°Cat760mmHg
• Flash Point: 99.4°C
• PSA: 56.15000
• Density: 0.939g/cm³
• LogP: 2.54430
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 188.13471982
• Heavy Atom Count: 12
• Complexity: 119

Purity/Quality:

99% ^*data from raw suppliers

NN''-Di-iso-butylthiourea ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CNC(=S)NCC(C)C

Technology Process of Urea, 1,3-diisobutyl-2-thio-

There total 6 articles about Urea, 1,3-diisobutyl-2-thio- 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%

N,N'-bis<1-(1H-benzotriazol-1-yl)-2-methylpropyl>thiourea (137131-02-3) → 1,3-di(isobutyl)thiourea (29214-81-1)

Guidance literature:

With sodium tetrahydroborate; In tetrahydrofuran; for 4h; Heating;

Reference yield: 93.0%

isobutylamine (78-81-9) + sodium trithiocarbonate (534-18-9) → 1-methyl-2-pyridinethione (2044-27-1) + 1,3-di(isobutyl)thiourea (29214-81-1)

Guidance literature:

With 2-chloro-1-methyl-pyridinium iodide; In chloroform; at 50 ℃; for 3h;

DOI:10.1246/cl.1982.641

Reference yield:

carbon disulfide (75-15-0,12122-00-8) + isobutylamine (78-81-9) → 1,3-di(isobutyl)thiourea (29214-81-1)

Guidance literature:

In Petroleum ether; at 0 ℃;

DOI:10.1155/2015/913435

upstream raw materials:

isobutylamine

sodium trithiocarbonate

N,N'-bis<1-(1H-benzotriazol-1-yl)-2-methylpropyl>thiourea

carbon disulfide

Downstream raw materials:

4-(4-Chloro-3-sulfamoylphenyl)-3-isobutyl-2-isobutylimino-1,3-thiazolidine-4-ol-hydrochloride