4-Phenylthiophenol

Base Information

• Chemical Name: 4-Phenylthiophenol
• CAS No.: 19813-90-2
• Molecular Formula: C12H10S
• Molecular Weight: 186.277
• Hs Code.: 2930909090
• European Community (EC) Number: 694-733-9
• DSSTox Substance ID: DTXSID60375145
• Nikkaji Number: J647.152H
• Wikidata: Q82163679
• Mol file: 19813-90-2.mol

Synonyms:1,1'-biphenyl-4-thiol

Chemical Property of 4-Phenylthiophenol

Chemical Property:

• Vapor Pressure: 0.000876mmHg at 25°C
• Melting Point: 108-112°C
• Boiling Point: 314.1oC at 760 mmHg
• PKA: 6.51±0.10(Predicted)
• Flash Point: 145.3oC
• PSA: 38.80000
• Density: 1.113g/cm3
• LogP: 3.64230
• Storage Temp.: 2-8°C
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 186.05032149
• Heavy Atom Count: 13
• Complexity: 141

Purity/Quality:

97% ^*data from raw suppliers

4-phenylbenzene-1-thiol ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn,N
• Statements: 22-50/53
• Safety Statements: 60-61

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)S
• Uses: 4-Phenylbenzene-1-thiol is formed in chemical process of monolayers and multilayers of conjugated thiols, α,ω-dithiols, and thioacetyl-containing adsorbates being self-assembled. It is used as an engineered material for electron transport through thin organic films in metal-insulator-metal junction.

Technology Process of 4-Phenylthiophenol

There total 31 articles about 4-Phenylthiophenol 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: 100.0%

4-[2-(biphenyl-4-ylsulfanyl)ethyl]pyridine (881664-15-9) → 4-biphenylthiol (19813-90-2)

Guidance literature:

With sodium ethanolate; In ethanol; at 20 ℃; for 5h;

DOI:10.1021/jo052624z

Reference yield: 99.0%

4-iodo-biphenyl (1591-31-7) → 4-biphenylthiol (19813-90-2)

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: 97.0%

S-[1,1'-biphenyl]-4-yl dimethylcarbamothioate (16241-09-1) → 4-biphenylthiol (19813-90-2)

Guidance literature:

With hydrogenchloride; sodium hydroxide; In methanol;

upstream raw materials:

biphenyldiazonium

4-bromo-1,1'-biphenyl

S-[1,1'-biphenyl]-4-yl dimethylcarbamothioate

O-([1,1'-biphenyl]-4-yl) dimethylcarbamothioate

Downstream raw materials:

4-biphenylmonosulfonic acid

1,2-di([1,1'-biphenyl]-4-yl)disulfane

2-(biphenyl-4-ylthio)benzophenone

3-(4-biphenyl)sulfonylpropionic acid