Methanethione, diphenyl-, S-oxide

Base Information

• Chemical Name: Methanethione, diphenyl-, S-oxide
• CAS No.: 15848-07-4
• Molecular Formula: C13H10OS
• Molecular Weight: 214.288
• DSSTox Substance ID: DTXSID20456202
• Nikkaji Number: J1.556.242K,J450.395C
• Wikidata: Q82278452
• Mol file: 15848-07-4.mol

Synonyms:Methanethione, diphenyl-, S-oxide;C13H10OS;Diphenyl thioketoneoxide;thiobenzophenone s-oxide;15848-07-4;FNNSWZAKAFPQOO-UHFFFAOYSA-;DTXSID20456202;1,1-Diphenyl-2-thia(IV)ethene-2-one;InChI=1/C13H10OS/c14-15-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10H

Chemical Property of Methanethione, diphenyl-, S-oxide

Chemical Property:

• Melting Point: 30-32 °C (decomp)(Solv: ethyl ether (60-29-7); ligroine (8032-32-4))
• Boiling Point: 332.6±25.0 °C(Predicted)
• PSA: 49.16000
• Density: 1.08±0.1 g/cm3(Predicted)
• LogP: 3.33410
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 214.04523611
• Heavy Atom Count: 15
• Complexity: 223

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(=S=O)C2=CC=CC=C2

Technology Process of Methanethione, diphenyl-, S-oxide

There total 9 articles about Methanethione, diphenyl-, S-oxide 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%

Thiobenzophenon (1450-31-3) → thiobenzophenone S-oxide (15848-07-4)

Guidance literature:

With trifluorormethanesulfonic acid; dihydrogen peroxide; methyltrioxorhenium(VII); In water; acetonitrile; at 20 ℃;

DOI:10.1021/jo990967p

Reference yield: 36.0%

Thiobenzophenon (1450-31-3) → benzophenone (119-61-9) + thiobenzophenone S-oxide (15848-07-4)

Guidance literature:

With ozone; In methanol; dichloromethane; at -70 ℃;

DOI:10.1039/P19910003043

Reference yield:

diphenylmethyl <(p-chlorophenyl)sulfonyl>methyl sulfoxide (132102-76-2) → thiobenzophenone S-oxide (15848-07-4) + 4-chlorophenyl methyl sulfone (98-57-7)

Guidance literature:

methanolate; In methanol; dimethyl sulfoxide; at 25 ℃; Rate constant; Mechanism; in CD₃OD-DMSO;

DOI:10.1021/jo00004a017

upstream raw materials:

4,4'-diphenylmethyl (phenylsulfonyl)methyl sulfoxide

diphenylmethyl (p-tolylsulfonyl)methyl sulfoxide

diphenylmethyl <(p-chlorophenyl)sulfonyl>methyl sulfoxide

diphenylmethyl <(p-methoxyphenyl)sulfonyl>methyl sulfoxide

Downstream raw materials:

2,2-dimethyl-5,5-diphenyl-2,5-dihydro-[1,3,4]thiadiazole 1-oxide

(4R)-4r-(4-nitro-phenyl)-2,5,5-triphenyl-4,5-dihydro-thiazole 1c-oxide

2,2,3,5-tetraphenyl-2,3-dihydro-[1,3,4]thiadiazole 1-oxide

1,1-Diphenylethylene