S-Phenyl thioacetate

Base Information

• Chemical Name: S-Phenyl thioacetate
• CAS No.: 934-87-2
• Molecular Formula: C8H8OS
• Molecular Weight: 152.217
• Hs Code.: 29309090
• European Community (EC) Number: 213-294-2
• UNII: L1K5I18NJ8
• DSSTox Substance ID: DTXSID00239419
• Nikkaji Number: J54.981I
• Wikidata: Q72498959
• Mol file: 934-87-2.mol

Synonyms:thiophenyl acetate

Chemical Property of S-Phenyl thioacetate

Chemical Property:

• Vapor Pressure: 0.0434mmHg at 25°C
• Melting Point: 18-19 °C
• Refractive Index: n20/D 1.57(lit.)
• Boiling Point: 238.016 °C at 760 mmHg
• Flash Point: 93.696 °C
• PSA: 42.37000
• Density: 1.135 g/cm³
• LogP: 2.32520
• Storage Temp.: 2-8°C
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 152.02958605
• Heavy Atom Count: 10
• Complexity: 116

Purity/Quality:

99% ^*data from raw suppliers

S-Phenyl Thioacetate >98.0%(GC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)SC1=CC=CC=C1
• Uses: S-Phenyl thioacetate was used as a substrate to measure the esterase activity.

Technology Process of S-Phenyl thioacetate

There total 111 articles about S-Phenyl thioacetate 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: 92.0%

thiophenol (108-98-5) + acetyl chloride (75-36-5) → S-phenyl thioacetate (934-87-2) + diphenyldisulfane (882-33-7)

Guidance literature:

With silica gel; at 20 ℃; for 1.5h;

DOI:10.1039/b925620b

Reference yield: 91.0%

naphthalen-2-yl acetate (1523-11-1) + thiophenol (108-98-5) → S-phenyl thioacetate (934-87-2) + diphenyldisulfane (882-33-7) + β-naphthol (135-19-3)

Guidance literature:

With 1-methyl-pyrrolidin-2-one; potassium carbonate; for 0.25h; Heating;

DOI:10.1021/jo990780y

Reference yield: 50.0%

N,N'-diacetylthiourea (4984-27-4) + N-nitrosoacetanilide (938-81-8) → S-phenyl thioacetate (934-87-2) + diacetylurea diphenylmercaptol + diphenyldisulfane (882-33-7) + acetylthiourea (591-08-2)

Guidance literature:

In acetone; at 20 ℃; for 24h;

DOI:10.1007/BF00948276

upstream raw materials:

sodium thiophenolate

acetic anhydride

thiophenol

Ketene

Downstream raw materials:

{[1,1-bis(phenylthio)ethyl]thio}benzene

3-Hydroxy-3,3-diphenyl-thiopropionic acid S-phenyl ester

β-Hydroxycarboxylsaeure

phenyl 2,3,4,6-tetra-O-acetyl-1-thio-α-D-galactopyranoside

Refernces

• 1、 Singh, Pallavi,Peddinti, Rama Krishna. "Methanesulfonic anhydride-promoted sustainable synthesis of thioesters from feedstock acids and thiols". . . Retrieved 2021/02/22.
• 2、 Xie, Shimin,Su, Lebin,Mo, Min,Zhou, Wang,Zhou, Yongbo,Dong, Jianyu. "Cu-Catalyzed Oxidative Thioesterification of Aroylhydrazides with Disulfides". . p. 739 - 749. Retrieved 2021/01/09.