1-Propenyl propyl sulfide

Base Information

• Chemical Name: 1-Propenyl propyl sulfide
• CAS No.: 33922-70-2
• Molecular Formula: C₆H₁₂S
• Molecular Weight: 116.227
• Hs Code.: 2930909090
• Nikkaji Number: J3.152.027D
• Wikidata: Q76305404
• Metabolomics Workbench ID: 48936
• Mol file: 33922-70-2.mol

Synonyms:33922-70-2;1-Propenyl propyl sulfide;Allylpropylsulfide;1-[(E)-prop-1-enyl]sulfanylpropane;PROPYL PROPENYL SULFIDE;1-(1-Propenylthio)propane;4-Thia-2-heptene;1-Propenylpropyl sulfide;1-Propene, 1-(propylthio)-;(e)-1-propenyl propyl sulfide;CHEBI:166592;RKVNNVDQIVWRNA-HWKANZROSA-N;1-(Propylthio)-1-propene, 9CI;1-[(E)-prop-1-enyl]sulanylpropane;(1E)-1-(Propylsulfanyl)-1-propene;(1E)-1-(propylsulfanyl)prop-1-ene;1-[[(E)-prop-1-enyl]thio]propane;AKOS006303843;(1E)-1-(Propylsulfanyl)-1-propene #;A821999

Chemical Property of 1-Propenyl propyl sulfide

Chemical Property:

• Boiling Point: 152.551 °C at 760 mmHg
• Flash Point: 37.817 °C
• PSA: 25.30000
• Density: 0.86g/cm³
• LogP: 2.66320
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 116.06597156
• Heavy Atom Count: 7
• Complexity: 48.1

Purity/Quality:

99% ^*data from raw suppliers

Allyl propylsulfide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCSC=CC
• Isomeric SMILES: CCCS/C=C/C

Technology Process of 1-Propenyl propyl sulfide

There total 2 articles about 1-Propenyl propyl 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:

triphenyl-propylsulfanylmethyl-phosphonium; chloride (55064-94-3) + acetaldehyde (75-07-0,9002-91-9) → 1-(1-propenylthio)propane (33922-70-2)

Guidance literature:

Multistep reaction; (i) NaNH₂, benzene, (ii) /BRN= 505984/;

Reference yield:

→ 1-(1-propenylthio)propane (33922-70-2)

Guidance literature:

Allyl-propyl-sulfid, Isomerisierung mit Alkali;

upstream raw materials:

triphenyl-propylsulfanylmethyl-phosphonium; chloride

acetaldehyde

Refernces

• 1、 Nishimura,Mizutani. "Photochemistry and radiation chemistry of sulfur-containing amino acids. A new reaction of the 1-propenylthiyl radicals.". . p. 1567 - 1575. Retrieved 2007/10/04.