Cyclohexyl methyl sulfide

Base Information

• Chemical Name: Cyclohexyl methyl sulfide
• CAS No.: 7133-37-1
• Molecular Formula: C7H14 S
• Molecular Weight: 130.254
• Hs Code.: 2930909090
• European Community (EC) Number: 230-431-1
• DSSTox Substance ID: DTXSID70221523
• Nikkaji Number: J100.409C
• Wikidata: Q83099331
• Mol file: 7133-37-1.mol

Synonyms:Cyclohexyl methyl sulfide;7133-37-1;methylsulfanylcyclohexane;(Methylthio)cyclohexane;Sulfide, cyclohexyl methyl;Cyclohexane, (methylthio)-;cyclohexyl(methyl)sulfane;(Methylsulfanyl)cyclohexane;CYCLOHEXYL METHYL SULPHIDE;EINECS 230-431-1;CYCLOHEXYLMETHYLSULFIDE;Methylthiocyclohexane;Methylcyclohexylsulfide;methylsulanylcyclohexane;Cyclohexyl methylsulfide;methyl cyclohexyl sulfide;c-C6H11SCH3;(Methylsulfanyl)cyclohexane #;SCHEMBL199625;C7H14S;DTXSID70221523;CHEBI:167082;C7-H14-S;MFCD00039460;AKOS005207112;CS-0455111;FT-0604989

Chemical Property of Cyclohexyl methyl sulfide

Chemical Property:

• Vapor Pressure: 1.07mmHg at 25°C
• Melting Point: -80oC
• Refractive Index: 1.4940
• Boiling Point: 89-90°C 35mm
• Flash Point: 61°C
• PSA: 25.30000
• Density: 0,938 g/cm3
• LogP: 2.68210
• Water Solubility.: Soluble in water 173.5 mg/L @ 25°C, alcohol.
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 130.08162162
• Heavy Atom Count: 8
• Complexity: 55.4

Purity/Quality:

98%Min ^*data from raw suppliers

Cyclohexyl methyl sulfide, 97% ^*data from reagent suppliers

Safty Information:

• Statements: R10:Flammable.
• Safety Statements: 23-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSC1CCCCC1
• Uses: Cyclohexyl methyl sulfide is used as a pharmaceutical intermediate.

Technology Process of Cyclohexyl methyl sulfide

There total 20 articles about Cyclohexyl methyl 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: 99.0%

methylthiol (74-93-1) + cyclohexene (110-83-8) → cyclohexyl methyl sulfide (7133-37-1)

Guidance literature:

With C₃₈H₂₈Au₂F₁₂FeN₂O₈P₂S₄; In 1,4-dioxane; at 45 ℃; for 20h; Inert atmosphere; Glovebox; Sealed tube;

DOI:10.1002/anie.201809051

Reference yield: 75.0%

Cyclohexanethiol (1569-69-3) + methyl iodide (74-88-4) → cyclohexyl methyl sulfide (7133-37-1)

Guidance literature:

Ce(72percent)NaY; In hexane; for 16h; Heating;

Reference yield: 60.0%

cyclohexyl methyl sulfoxide (56051-02-6) → cyclohexyl methyl sulfide (7133-37-1)

Guidance literature:

With tris(pentafluorophenyl)borate; phenylsilane; In toluene; at 60 ℃; for 8h; Inert atmosphere; Schlenk technique; Green chemistry;

DOI:10.1002/ejoc.201700489

upstream raw materials:

bis-carboxymethyl-cyclohexyl sulfonium-betaine

S-cyclohexyl ethanethioate

dimethyl sulfate

methylthiol

Downstream raw materials:

cyclohexyl methyl sulfoxide

(methylsulfonyl)cyclohexane

cyclohexyl-dimethyl sulfonium ; iodide

methyl-phenyl-thioether