Phenyl vinyl sulfide

Base Information

• Chemical Name: Phenyl vinyl sulfide
• CAS No.: 1822-73-7
• Molecular Formula: C8H8S
• Molecular Weight: 136.218
• Hs Code.: 29309090
• European Community (EC) Number: 217-351-2
• NSC Number: 39625
• UNII: 253GML9Q62
• DSSTox Substance ID: DTXSID60171265
• Nikkaji Number: J199.640A
• Wikidata: Q27253901
• Metabolomics Workbench ID: 45133
• ChEMBL ID: CHEMBL2323850
• Mol file: 1822-73-7.mol

Synonyms:Phenyl vinyl sulfide;1822-73-7;Phenylthioethene;Phenyl vinyl sulphide;(Phenylthio)ethylene;ethenylsulfanylbenzene;Benzene, (ethenylthio)-;phenyl(vinyl)sulfane;Vinylthiobenzene;Vinyl phenyl sulfide;Phenyl vinyl thioether;Sulfide, phenyl vinyl;Phenylthioethylene;vinylsulfanyl-benzene;(Vinylsulfanyl)benzene;(vinylthio)benzene;(Ethenylthio)benzene;(ethenylsulfanyl)benzene;UNII-253GML9Q62;253GML9Q62;EINECS 217-351-2;NSC-39625;vinylsulfanylbenzene;Phenyl etheryl sulfide;Phenyl vnyl sulfde;ethenylsulanylbenzene;(ethenylthio)-Benzene;(Ethenylthio)benzene, 9CI;Phenyl vinyl sulfide, 97%;UPCMLD00WV-101;SCHEMBL230858;CHEMBL2323850;SCHEMBL13341620;DTXSID60171265;CHEBI:173571;NSC39625;MFCD00009646;NSC 39625;AKOS015898625;FS-4427;Phenyl vinyl sulfide, stabilised with TBC;Phenyl vinyl sulfide, stabilized with TBC;FT-0633859;P1287;D92100;J-011661;J-523938;Q27253901

Chemical Property of Phenyl vinyl sulfide

Chemical Property:

• Appearance/Colour: clear slightly yellowish liquid
• Vapor Pressure: 0.492mmHg at 25°C
• Refractive Index: n20/D 1.599(lit.)
• Boiling Point: 199.054 °C at 760 mmHg
• Flash Point: 45.556 °C
• PSA: 25.30000
• Density: 1.031 g/cm³
• LogP: 2.92220
• Storage Temp.: 2-8°C
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 136.03467143
• Heavy Atom Count: 9
• Complexity: 82.6

Purity/Quality:

98% min ^*data from raw suppliers

Phenyl vinyl sulfide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R10:
• Hazard Codes: R10:
• Statements: 10
• Safety Statements: 16

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C=CSC1=CC=CC=C1
• Uses: Phenyl vinyl sulfide was used in the synthesis of 2-fluoropyridinyl-6-oxy- precursors.

Technology Process of Phenyl vinyl sulfide

There total 94 articles about Phenyl vinyl 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: 93.0%

thiophenol (108-98-5) + acetylene (74-86-2,25067-58-7) → phenylthioethylene (1822-73-7)

Guidance literature:

thiophenol; With potassium hydroxide; In water; for 1h; Green chemistry;

acetylene; at 100 - 105 ℃; for 3h; under 9120.61 Torr; Green chemistry;

DOI:10.1007/s11172-013-0059-4

Reference yield: 87.0%

2-Chloroethyl phenyl sulfide (5535-49-9) → phenylthioethylene (1822-73-7)

Guidance literature:

With sodium hydroxide;

DOI:10.1023/A:1021624329438

Reference yield: 75.0%

thirane (420-12-2) + benzenedizolium-2-carboxylate (1608-42-0) → phenylthioethylene (1822-73-7)

Guidance literature:

In dichloromethane; Heating;

DOI:10.1016/S0040-4039(01)81261-2

upstream raw materials:

2-(phenylthio)ethanol

1,2-bis(phenylthio)ethane

2-Chloroethyl phenyl sulfide

ethylphenylsulfoxide

Downstream raw materials:

bicyclo[2.2.1]hept-5-en-2-yl(phenyl)sulfane

1,2-bis(phenylthio)ethane

hexyl phenyl sulfide

1,4-diphenyl-2-phenylsulfanyl-1,2,3,4-tetrahydro-1,4-methano-triphenylen-13-one

Refernces

• 1、 Brace, Neal O.. "An Economical and Convenient Synthesis of Phenyl Vinyl Sulfone from Benzenethiol and 1,2-Dichloroethane". . p. 4506 - 4508. Retrieved 1993.
• 2、 Farhadi, Saeed,Sadeghi, Meysam,Zabardasti, Abedin. "A NaX zeolite framework containing magnetic MgFe2O4/CdO nanoparticles: Synthesis, characterization and catalytic performance in the decontamination of 2-chloroethyl phenyl sulfide (2-CEPS) as a model of sulfur mustard agent". supporting information. p. 21315 - 21326. Retrieved 2021/12/04.
• 3、 Acosta-Guzmán, Paola,Mahecha-Mahecha, Camilo,Gamba-Sánchez, Diego. "Electrophilic Chlorine from Chlorosulfonium Salts: A Highly Chemoselective Reduction of Sulfoxides". supporting information. p. 10348 - 10354. Retrieved 2020/07/13.