Ethyl isopropyl sulfide

Base Information

• Chemical Name: Ethyl isopropyl sulfide
• CAS No.: 5145-99-3
• Molecular Formula: C5H12 S
• Molecular Weight: 104.216
• Hs Code.: 2930909090
• European Community (EC) Number: 225-917-5
• NSC Number: 163314
• UNII: 9FM2V7QR4Z
• DSSTox Substance ID: DTXSID70199430
• Nikkaji Number: J43.503A
• Wikidata: Q83072350
• Mol file: 5145-99-3.mol

Synonyms:Ethyl isopropyl sulfide;5145-99-3;Propane, 2-(ethylthio)-;Ethyl isopropyl sulphide;2-ethylsulfanylpropane;Sulfide, ethyl isopropyl;2-Methyl-3-thiapentane;2-(Ethylthio)propane;Isopropyl ethyl sulfide;EINECS 225-917-5;NSC-163314;ETHYLISOPROPYLSULFIDE;Ethylisopropyl sulfide;ethyl(isopropyl)sulfane;Isopropyl ethyl sulphide;C2H5S(iso-C3H7);2-(Ethylsulfanyl)propane #;9FM2V7QR4Z;S(CC)C(C)C;SCHEMBL97112;DTXSID70199430;MFCD00039908;NSC163314;NSC 163314;E0225;FT-0635561;D90463

Chemical Property of Ethyl isopropyl sulfide

Chemical Property:

• Vapor Pressure: 29.3mmHg at 25°C
• Melting Point: -122.19°C
• Refractive Index: 1.4390-1.4430
• Boiling Point: 103oC
• Flash Point: 5oC
• PSA: 25.30000
• Density: 0.83
• LogP: 2.14790
• XLogP3: 2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 104.06597156
• Heavy Atom Count: 6
• Complexity: 25.1

Purity/Quality:

98% ^*data from raw suppliers

Ethyl Isopropyl Sulfide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCSC(C)C

Technology Process of Ethyl isopropyl sulfide

There total 9 articles about Ethyl isopropyl 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: 100.0%

isopropyl bromide (75-26-3) + ethanethiol (75-08-1) → ethyl isopropyl sulfide (5145-99-3)

Guidance literature:

ethanethiol; With sodium tetrahydroborate; sodium hydroxide; In water; at 5 ℃; Inert atmosphere;

isopropyl bromide; tetrabutylammomium bromide; In water; at 50 ℃; Inert atmosphere;

Reference yield:

propene (187737-37-7,13987-01-4,15220-87-8,9003-07-0,676-63-1,25085-53-4) + ethanethiol (75-08-1) → ethyl propyl sulfide (4110-50-3) + ethyl isopropyl sulfide (5145-99-3) + diisopropylsulfide (625-80-9)

Guidance literature:

at 180 ℃;

Reference yield:

propene (187737-37-7,13987-01-4,15220-87-8,9003-07-0,676-63-1,25085-53-4) + acetic anhydride (108-24-7) + ethanethiol (75-08-1) → ethyl propyl sulfide (4110-50-3) + ethyl isopropyl sulfide (5145-99-3)

Guidance literature:

at 264 - 274 ℃; unter Druck;

upstream raw materials:

2-iodo-propane

sodium thioethylate

propene

ethanethiol

Downstream raw materials:

C₁₁H₁₆ClNS*C₆H₃N₃O₇

C₁₁H₁₆N₂O₂S*C₆H₃N₃O₇

C₁₂H₁₆N₂S*C₆H₃N₃O₇

2-ethanesulfonyl-propane

Refernces

• 1、 Filsak,Budzikiewicz. "Intermediacy of ion neutral complexes in the fragmentation of short-chain dialkyl sulfides". . p. 601 - 610. Retrieved 2007/10/03.