5-(Methylthio)-2-[(methylthio)methyl]-2-pentenal

Base Information

• Chemical Name: 5-(Methylthio)-2-[(methylthio)methyl]-2-pentenal
• CAS No.: 59902-01-1
• Molecular Formula: C8H14 O S2
• Molecular Weight: 190.331
• European Community (EC) Number: 261-978-4
• Metabolomics Workbench ID: 47942
• Nikkaji Number: J298.739B
• Wikidata: Q76511867
• Mol file: 59902-01-1.mol

Synonyms:5-(Methylthio)-2-[(methylthio)methyl]-2-pentenal;5-(methylthio)-2-[(methylthio)methyl]pent-2-enal;2-[(methylthio)methyl]-5-(methylthio)-2-pentenal;5-(Methylthio)-2-((methylthio)methyl)-2-pentenal;2,8-Dithianon-4-en-4-carboxaldhyde;2,8-dithianon-4-en-4-carboxaldehyde;2-Methylthiomethyl-5-methylthiopent-2-enal;5-(Methylthio)-2-((methylthio)methyl)pent-2-enal;5-(Methylthio)-2-(methylthio)methylpent-2-en-1-al;SCHEMBL11546937;4-Formyl-2,8-dithianon-4-ene;FEMA 3483;CHEBI:173906;VVZWQNGEMWJSTM-XBXARRHUSA-N;(E)-5-methylsulanyl-2-(methylsulanylmethyl)pent-2-enal;(2E)-5-(methylsulfanyl)-2-[(methylsulfanyl)methyl]pent-2-enal

Chemical Property of 5-(Methylthio)-2-[(methylthio)methyl]-2-pentenal

Chemical Property:

• Vapor Pressure: 0.000366mmHg at 25°C
• Boiling Point: 318.2°C at 760 mmHg
• Flash Point: 136.3°C
• PSA: 67.67000
• Density: 1.061±0.06 g/cm3 (20 ºC 760 Torr)
• LogP: 2.22780
• XLogP3: 1.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 190.04860741
• Heavy Atom Count: 11
• Complexity: 132

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CSCCC=C(CSC)C=O
• Isomeric SMILES: CSCC/C=C(/CSC)\C=O

Technology Process of 5-(Methylthio)-2-[(methylthio)methyl]-2-pentenal

There total 2 articles about 5-(Methylthio)-2-[(methylthio)methyl]-2-pentenal 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:

methylthiol (74-93-1) + acrolein (107-02-8,25068-14-8) → 3-hydroxy-2-methylthiomethyl-4-pentenal + 3-(methylsulfenyl)propanal (3268-49-3) + 5-methylsulfanyl-2-methylsulfanylmethyl-pent-2-enal (59902-01-1)

Guidance literature:

With pyridine; acetic acid; at 70 ℃; for 0.75 - 0.833333h;

Reference yield:

3-(methylsulfenyl)propanal (3268-49-3) → 5-methylsulfanyl-2-methylsulfanylmethyl-pent-2-enal (59902-01-1)

Guidance literature:

upstream raw materials:

methylthiol

acrolein

3-(methylsulfenyl)propanal