4-Phenylthian-4-ol

Base Information

• Chemical Name: 4-Phenylthian-4-ol
• CAS No.: 22397-92-8
• Molecular Formula: C₁₁H₁₄OS
• Molecular Weight: 194.298
• DSSTox Substance ID: DTXSID40540778
• Wikidata: Q82416891
• Mol file: 22397-92-8.mol

Synonyms:4-Phenylthian-4-ol;22397-92-8;SCHEMBL7945827;DTXSID40540778;EN300-319811

Chemical Property of 4-Phenylthian-4-ol

Chemical Property:

• PSA: 45.53000
• LogP: 2.40120
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 194.07653624
• Heavy Atom Count: 13
• Complexity: 158

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CSCCC1(C2=CC=CC=C2)O

Technology Process of 4-Phenylthian-4-ol

There total 4 articles about 4-Phenylthian-4-ol 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: 72.0%

Tetrahydrothiopyran-4-one (1072-72-6) + phenylmagnesium bromide → 4-phenyl-tetrahydrothiopyran-4-ol (22397-92-8)

Guidance literature:

In tetrahydrofuran; Heating;

DOI:10.1080/104265090507641

Reference yield:

Tetrahydrothiopyran-4-one (1072-72-6) → 4-phenyl-tetrahydrothiopyran-4-ol (22397-92-8)

Guidance literature:

In tetrahydrofuran; at -78 - 20 ℃;

DOI:10.1016/j.bmcl.2008.09.042

Reference yield:

phenylmagnesium bromide → 4-phenyl-tetrahydrothiopyran-4-ol (22397-92-8)

Guidance literature:

With diethyl ether;

upstream raw materials:

Tetrahydrothiopyran-4-one

Downstream raw materials:

4-phenyl-5,6-dihydro-2H-thiopyran