(Allylthio)benzene

Base Information

• Chemical Name: (Allylthio)benzene
• CAS No.: 5296-64-0
• Molecular Formula: C9H10S
• Molecular Weight: 150.244
• Hs Code.: 2930909090
• European Community (EC) Number: 226-142-5
• UNII: PZD2SYT8MG
• DSSTox Substance ID: DTXSID70201002
• Nikkaji Number: J297.984E
• Wikidata: Q72437384
• Mol file: 5296-64-0.mol

Synonyms:Allyl phenyl sulfide;5296-64-0;(Allylthio)benzene;Allyl(phenyl)sulfane;Allylsulfanylbenzene;prop-2-enylsulfanylbenzene;Benzene, (2-propenylthio)-;Phenyl allyl sulfide;Allylphenyl sulfide;Phenyl allyl thioether;(prop-2-en-1-ylsulfanyl)benzene;PZD2SYT8MG;EINECS 226-142-5;Allylphenylthioether;Allyl(phenyl)sulfide;Sulfide, allyl phenyl;(Allylsulfanyl)benzene;Allyl phenyl thioether;3-(Phenylthio)propene;ALLYLPHENYLSULFIDE;UNII-PZD2SYT8MG;S-ALLYLTHIOBENZENE;(Allylsulfanyl)benzene #;3-(Phenylthio)prop-1-ene;SCHEMBL170050;(2-PROPENYLTHIO)BENZENE;DTXSID70201002;3-(PHENYLTHIO)-1-PROPENE;(2-PROPEN-1-YLTHIO)BENZENE;BBL100142;MFCD00014957;STL511382;AKOS005206770;CS-W018136;s12094;Allyl phenyl sulfide, >=96.5% (GC);BENZENE, (2-PROPEN-1-YLTHIO)-;FT-0622037;A870854;J-620009

Chemical Property of (Allylthio)benzene

Chemical Property:

• Vapor Pressure: 0.309mmHg at 25°C
• Melting Point: -48--46.5 °C
• Refractive Index: n20/D 1.572
• Boiling Point: 208.389 °C at 760 mmHg
• Flash Point: 78.818 °C
• PSA: 25.30000
• Density: 1.011 g/cm³
• LogP: 2.96470
• Sensitive.: Air Sensitive
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 150.05032149
• Heavy Atom Count: 10
• Complexity: 92.9

Purity/Quality:

99% ^*data from raw suppliers

Allyl Phenyl Sulfide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 20/21
• Safety Statements: 23-36/37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C=CCSC1=CC=CC=C1

Technology Process of (Allylthio)benzene

There total 88 articles about (Allylthio)benzene 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%

allyl iodid (556-56-9) + diphenyldisulfane (882-33-7) → allyl phenyl thioether (5296-64-0)

Guidance literature:

With hydrogenchloride; zinc; In water; at 20 ℃; for 0.0833333h; Ionic liquid; Inert atmosphere;

DOI:10.1016/j.tet.2011.04.018

Reference yield: 99.0%

thiophenol (108-98-5) + allyl alcohol (107-18-6) → allyl phenyl thioether (5296-64-0)

Guidance literature:

With [CpRu(η3-C3H5)QA]PF6; In methanol; at 30 ℃; for 2.5h; Inert atmosphere;

DOI:10.1039/c0cc00096e

Reference yield: 98.0%

thiophenol (108-98-5) + 3-chloroprop-1-ene (107-05-1) → allyl phenyl thioether (5296-64-0)

Guidance literature:

thiophenol; With sodium hydroxide; In water; at 0 ℃; for 0.0833333h;

3-chloroprop-1-ene; In water; at 20 ℃; for 6h;

DOI:10.1021/ja8026168

upstream raw materials:

thiophenol

allyl bromide

bromobenzene

iodobenzene

Downstream raw materials:

allylbenzene

thiophenol

1-(phenylthio)-1-propene

(allylsulfonyl)benzene

Refernces

• 1、 Anselmi, Silvia,Liu, Siyu,Kim, Seong-Heun,Barry, Sarah M.,Moody, Thomas S.,Castagnolo, Daniele. "A mild and chemoselective CALB biocatalysed synthesis of sulfoxides exploiting the dual role of AcOEt as solvent and reagent". supporting information. p. 156 - 161. Retrieved 2021/01/14.
• 2、 Cruz, Daniel A.,Sinka, Victoria,De Armas, Pedro,Steingruber, Hugo Sebastian,Fernández, Israel,Martín, Víctor S.,Miranda, Pedro O.,Padrón, Juan I.. "Iron(II) and Copper(I) Control the Total Regioselectivity in the Hydrobromination of Alkenes". supporting information. p. 6105 - 6109. Retrieved 2021/08/18.