1,3-Dibutyl-2-thiourea

Base Information

• Chemical Name: 1,3-Dibutyl-2-thiourea
• CAS No.: 109-46-6
• Deprecated CAS: 30551-64-5
• Molecular Formula: C9H20N2S
• Molecular Weight: 188.337
• Hs Code.: 29309070
• European Community (EC) Number: 203-674-6
• NSC Number: 4148,3735
• UNII: 3154M2Q6GD
• DSSTox Substance ID: DTXSID8042187
• Nikkaji Number: J22.119H
• Wikipedia: N,N'-Di-n-butylthiourea
• Wikidata: Q19059365
• ChEMBL ID: CHEMBL3183795
• Mol file: 109-46-6.mol

Synonyms:1,3-dibutyl-2-thiourea;dibutylthiourea

Chemical Property of 1,3-Dibutyl-2-thiourea

Chemical Property:

• Appearance/Colour: white powder
• Vapor Pressure: 0.0203mmHg at 25°C
• Melting Point: 63-67 °C
• Refractive Index: 1.494
• Boiling Point: 251.5 °C at 760 mmHg
• PKA: 14.30±0.70(Predicted)
• Flash Point: 105.9 °C
• PSA: 56.15000
• Density: 0.942 g/cm³
• LogP: 2.83250
• Storage Temp.: Store below +30°C.
• Solubility.: within almost transparency in Methanol
• Water Solubility.: slightly soluble
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 6
• Exact Mass: 188.13471982
• Heavy Atom Count: 12
• Complexity: 103

Purity/Quality:

99% ^*data from raw suppliers

1,3-Dibutylthiourea >97.0%(N) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22-20/21/22
• Safety Statements: 36/37-36

MSDS Files:

SDS file from LookChem

Useful:

• Chemical Classes: Nitrogen Compounds -> Thiourea Compounds
• Canonical SMILES: CCCCNC(=S)NCCCC
• Description: Dibutylthiourea is used in the vulcanization of rubber, in paints and glue removers as an anticorrosive, in phonecards as a component of the thermocoating sprayed over the optically read layer of the card. Crosssensitivity to other thiourea derivatives is possible.
• Uses: N,N'-Di-n-butylthiourea is used in vulcanization accelerator and corrosion inhibitors for metal treatments. It is used as leather, plastic and rubber auxiliary agents. Dibutyl thiourea is an accelerator for mercaptan-modified chloroprene rubber; activator for ethylene-propylene-diene terpolymers and natural rubber; antidegradant for natural rubber latex and thermoplastic styrene-butadiene rubber.

Technology Process of 1,3-Dibutyl-2-thiourea

There total 10 articles about 1,3-Dibutyl-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: 96.0%

carbon disulfide (75-15-0,12122-00-8) + N-butylamine (109-73-9,85404-21-3) → 1,3-dibutylthiourea (109-46-6)

Guidance literature:

In water; at 20 ℃; for 0.833333h; Solvent; Time; Green chemistry;

DOI:10.1080/00397911.2014.960939

Reference yield: 96.0%

N-butylamine (109-73-9,85404-21-3) + thiourea (17356-08-0) → 1,3-dibutylthiourea (109-46-6)

Guidance literature:

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

DOI:10.1080/104265090968082

Reference yield: 90.0%

sodium trithiocarbonate (534-18-9) + N-butylamine (109-73-9,85404-21-3) → 1-methyl-2-pyridinethione (2044-27-1) + 1,3-dibutylthiourea (109-46-6)

Guidance literature:

With 2-chloro-1-methyl-pyridinium iodide; In dichloromethane; for 5h; Heating;

DOI:10.1246/cl.1982.641

upstream raw materials:

carbon disulfide

trimethyl(butyl-amino)silane

sodium trithiocarbonate

N-butylamine

Downstream raw materials:

butyl-(1-butyl-1H-tetrazol-5-yl)-amine

2-Benzyl-1,3-dibutyl-isothiourea

butyl isothiocyanate

N-butylbenzo[d]thiazol-2-amine