Methyl (1-methylbutyl) sulfide

Base Information

• Chemical Name: Methyl (1-methylbutyl) sulfide
• CAS No.: 13286-91-4
• Molecular Formula: C6H14S
• Molecular Weight: 118.243
• DSSTox Substance ID: DTXSID50335278
• Nikkaji Number: J1.541.050G
• Mol file: 13286-91-4.mol

Synonyms:Methyl (1-methylbutyl) sulfide;3-METHYL-2-THIAHEXANE;(1-methylbutyl) methyl sulfide;13286-91-4;1-Methylbutylmethyl sulfide;Pentane, 2-(methylthio)-;Sulfide, methyl 1-methylbutyl;SCHEMBL7962608;DTXSID50335278

Chemical Property of Methyl (1-methylbutyl) sulfide

Chemical Property:

• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 118.08162162
• Heavy Atom Count: 7
• Complexity: 35.2

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(C)SC

Technology Process of Methyl (1-methylbutyl) sulfide

There total 1 articles about Methyl (1-methylbutyl) 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:

(S)-2-pentanol (26184-62-3) → 1-methylbutyl methyl sulfide (13286-91-4)

Guidance literature:

Multi-step reaction with 2 steps

1: phosphorus; iodine

2: ethanol

With phosphorus; ethanol; iodine;

DOI:10.1021/ja01591a049

Reference yield:

1-methylbutyl methyl sulfide (13286-91-4) → 1-penten (109-67-1)

Guidance literature:

Multi-step reaction with 2 steps

1: acetic acid; aqueous hydrogen peroxide

2: ethanolic potassium ethylate

With potassium ethoxide; dihydrogen peroxide; acetic acid;

DOI:10.1021/ja01591a049

upstream raw materials:

(S)-2-pentanol

Downstream raw materials:

1-penten