Dipropyl sulfide

Base Information

• Chemical Name: Dipropyl sulfide
• CAS No.: 111-47-7
• Molecular Formula: C6H14S
• Molecular Weight: 118.243
• Hs Code.: 29309070
• European Community (EC) Number: 203-873-8
• NSC Number: 78429
• UNII: Q6J7GNX8F9
• DSSTox Substance ID: DTXSID3021934
• Nikkaji Number: J373E
• Wikidata: Q27287061
• Metabolomics Workbench ID: 44875
• Mol file: 111-47-7.mol

Synonyms:1,1'-thiobispropane;dipropyl sulfide

Chemical Property of Dipropyl sulfide

Chemical Property:

• Appearance/Colour: clear colorless liquid
• Vapor Pressure: 6.42mmHg at 25°C
• Melting Point: -103 °C
• Refractive Index: n20/D 1.4487(lit.)
• Boiling Point: 144.4 °C at 760 mmHg
• Flash Point: 28.3 °C
• PSA: 25.30000
• Density: 0.835 g/cm³
• LogP: 2.53960
• Storage Temp.: Store below +30°C.
• Water Solubility.: Soluble in water 351mg/L @ 25°C.
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 118.08162162
• Heavy Atom Count: 7
• Complexity: 23.4

Purity/Quality:

99% ^*data from raw suppliers

Propyl Sulfide >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi, F
• Hazard Codes: Xi,F
• Statements: 10-36/37/38-36
• Safety Statements: 26-36-39-16-7/9

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Sulfur Compounds
• Canonical SMILES: CCCSCCC
• Uses: A garlic organosulfide Di-n-propyl sulfide is used in organic synthesis and used as a daily fragrance.

Technology Process of Dipropyl sulfide

There total 33 articles about Dipropyl sulfide 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%

dipropyl sulfoxide (4253-91-2) → propyl sulfide (111-47-7)

Guidance literature:

With 1,3,5-trichloro-2,4,6-triazine; potassium iodide; In acetonitrile; at 20 ℃; for 0.133333h; chemoselective reaction;

DOI:10.1016/j.tetlet.2011.09.073

Reference yield: 87.0%

1-iodo-propane (107-08-4) → propyl sulfide (111-47-7)

Guidance literature:

With dithiooxamide; sodium hydroxide; In water; at 30 - 35 ℃; for 1.5h; Green chemistry;

DOI:10.1002/ejoc.201500156

Reference yield: 85.0%

propyl bromide (106-94-5) → propyl sulfide (111-47-7)

Guidance literature:

With sulfur; hydrazine hydrate; potassium hydroxide; at 40 - 50 ℃; for 5h;

DOI:10.1134/S1070363218030015

upstream raw materials:

propan-1-ol

tetrachloromethane

1-thiopropane

propene

Downstream raw materials:

dipropyl sulfoxide

ethoxycarbonylmethyl-dipropyl sulfonium ; bromide

1,1-Diphenyl-2-propylsulfanyl-butan-1-ol

iodobenzene

Refernces

• 1、 Winssinger. "-". . p. 109. Retrieved 1887.
• 2、 Chan et al.. "". . p. 201. Retrieved 1969.
• 3、 Chen, T. L.,Shaver, Alan,Chan, T. H.. "The reaction of (η-C5H5)2Ti(CO)2 with sulfoxides". . p. C5 - C8. Retrieved 1989.
• 4、 Levanova,Nikonova,Grabel’nykh,Russavskaya,Albanov,Rozentsveig,Korchevin. "Reactions of Dichloroethenes with Sulfur in the System Hydrazine Hydrate–KОН". . p. 383 - 388. Retrieved 2018.
• 5、 Brown,Ravindran. "". . p. 42. Retrieved 1973.
• 6、 Firouzabadi, Habib,Iranpoor, Nasser,Gorginpour, Forough,Samadi, Arash. "Dithiooxamide as an Effective Sulfur Surrogate for Odorless High-Yielding Carbon-Sulfur Bond Formation in Wet PEG200 as an Eco-Friendly, Safe, and Recoverable Solvent". supporting information. p. 2914 - 2920. Retrieved 2015/05/04.