1-Chloro-2-prop-2-enylsulfanylbenzene

Base Information

• Chemical Name: 1-Chloro-2-prop-2-enylsulfanylbenzene
• CAS No.: 457077-10-0
• Molecular Formula: C9H9ClS
• Molecular Weight: 184.689
• NSC Number: 115091
• DSSTox Substance ID: DTXSID50297286
• Nikkaji Number: J1.781.582B
• Wikidata: Q82038310
• Mol file: 457077-10-0.mol

Synonyms:1-chloro-2-prop-2-enylsulfanylbenzene;457077-10-0;Benzene, 1-chloro-2-(2-propenylthio)-;NSC115091;SCHEMBL10351892;DTXSID50297286;NSC-115091;A1-05190

Chemical Property of 1-Chloro-2-prop-2-enylsulfanylbenzene

Chemical Property:

• PSA: 25.30000
• LogP: 3.61810
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 184.0113492
• Heavy Atom Count: 11
• Complexity: 125

Purity/Quality:

1-Chloro-2-prop-2-enylsulfanylbenzene 95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCSC1=CC=CC=C1Cl

Technology Process of 1-Chloro-2-prop-2-enylsulfanylbenzene

There total 4 articles about 1-Chloro-2-prop-2-enylsulfanylbenzene 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: 87.0%

bis(2-chlorobenzene)disulfide (31121-19-4) + allyl bromide (106-95-6) → allyl(2-chlorophenyl)sulfane (457077-10-0)

Guidance literature:

With ytterbium; methyl iodide; In tetrahydrofuran; at 25 ℃; for 1h;

DOI:10.1081/SCC-120005416

Reference yield:

2-chlorothiphenol (6320-03-2) + 3-chloroprop-1-ene (107-05-1) → allyl(2-chlorophenyl)sulfane (457077-10-0)

Guidance literature:

With sodium ethanolate; In ethanol; at 0 - 20 ℃; for 13h; Inert atmosphere;

DOI:10.1021/acs.orglett.5b01542

Reference yield:

2-chlorothiphenol (6320-03-2) → allyl(2-chlorophenyl)sulfane (457077-10-0)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 50 ℃;

DOI:10.1081/SCC-200030579

upstream raw materials:

bis(2-chlorobenzene)disulfide

allyl bromide

2-chlorothiphenol

3-chloroprop-1-ene