2-Sulfaniumylphenolate

Base Information

• Chemical Name: 2-Sulfaniumylphenolate
• CAS No.: 1121-24-0
• Molecular Formula: C6H6OS
• Molecular Weight: 126.179
• Hs Code.: 29309090
• Mol file: 1121-24-0.mol

Synonyms:2-sulfaniumylphenolate

Chemical Property of 2-Sulfaniumylphenolate

Chemical Property:

• Appearance/Colour: Clear pale green to yellow liquid
• Vapor Pressure: 0.0636mmHg at 25°C
• Melting Point: 20 °C
• Refractive Index: 1.606
• Boiling Point: 223.7 °C at 760 mmHg
• PKA: 6.80±0.43(Predicted)
• Flash Point: 89.1 °C
• PSA: 59.03000
• Density: 1.255 g/cm³
• LogP: 1.68090
• Storage Temp.: Store below +30°C.
• Sensitive.: Air Sensitive
• Solubility.: Chloroform (Sparingly), DMSO, Methanol (Slightly)
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 126.01393598
• Heavy Atom Count: 8
• Complexity: 74.9

Purity/Quality:

99% ^*data from raw suppliers

2-Hydroxythiophenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, T, Xi
• Hazard Codes: Xi,T,Xn
• Statements: 36/37/38-34-25-20/21/22
• Safety Statements: 23-36/37/39-45-26-36-7/9

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)[O-])[SH2+]
• Uses: 2-Hydroxythiophenol can be used to increase blood-?free apoptosis inhibitor of macrophage (AIM)

Technology Process of 2-Sulfaniumylphenolate

There total 36 articles about 2-Sulfaniumylphenolate 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: 95.0%

2-Iodophenol (533-58-4) → ortho-mercaptophenol (1121-24-0)

Guidance literature:

With copper(ll) sulfate pentahydrate; ethane-1,2-dithiol; potassium hydroxide; In water; dimethyl sulfoxide; at 90 ℃; for 20h; Inert atmosphere;

DOI:10.1002/adsc.201400941

Reference yield: 88.0%

1-Ethoxy-2-methylsulfanyl-benzene (38125-62-1) → ortho-mercaptophenol (1121-24-0)

Guidance literature:

With N,N,N,N,N,N-hexamethylphosphoric triamide; sodium hydride; diethylamine; In xylene; for 6h; Heating;

DOI:10.1055/s-1982-29868

Reference yield: 83.0%

benzo[d][1,3]oxathiol-2-one (7735-53-7) → ortho-mercaptophenol (1121-24-0)

Guidance literature:

With sodium hydroxide; In ethanol; at 60 ℃;

DOI:10.3987/com-98-s(h)23

upstream raw materials:

2-Hydroxy-benzoldiazonium

2-monochlorophenol

2,2'-trisulfanediyl-di-phenol

sodium phenoxide

Downstream raw materials:

benzo[d][1,3]oxathiol-2-one

2-Benzhydryl-2-methyl-benz[1,3]oxathiol

2,2'-dithiobisphenol

2-hydroxythiophenol diacetic ester

Refernces

• 1、 -. "SINGLE-STEP SYNTHESIS METHOD OF ARYL THIOL AND APPLICATION THEREOF". Paragraph 0032; 0033; 0063; 0067; 0068; 0070. . Retrieved 2017/09/02.
• 2、 Richter, Heinrich,Beckendorf, Stephan,Mancheno, Olga Garcia. "Modifiable sulfur tethers as directing groups for aromatic C-H acetoxylation reactions". supporting information; experimental part. p. 295 - 302. Retrieved 2011/04/16.