Diphenylmethanethiol

Base Information

• Chemical Name: Diphenylmethanethiol
• CAS No.: 4237-48-3
• Molecular Formula: C13H12S
• Molecular Weight: 200.304
• Hs Code.: 2930909090
• European Community (EC) Number: 816-910-3
• DSSTox Substance ID: DTXSID70195174
• Nikkaji Number: J121.055F
• Wikidata: Q83068044
• Mol file: 4237-48-3.mol

Synonyms:Diphenylmethanethiol;4237-48-3;Benzenemethanethiol, .alpha.-phenyl-;Benzhydryl hydrosulfide;Benzhydryl hydrosulfide #;SCHEMBL132873;DTXSID70195174;Benzenemethanethiol, alpha-phenyl-;AKOS000123048;CS-0235906;EN300-16498;J-640286;J-800285

Chemical Property of Diphenylmethanethiol

Chemical Property:

• Vapor Pressure: 0.00111mmHg at 25°C
• Boiling Point: 310.2°Cat760mmHg
• PKA: 9.27±0.10(Predicted)
• Flash Point: 125.8°C
• PSA: 38.80000
• Density: 1.09g/cm³
• LogP: 3.70580
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 200.06597156
• Heavy Atom Count: 14
• Complexity: 137

Purity/Quality:

98%Min ^*data from raw suppliers

Diphenylmethanethiol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C(C2=CC=CC=C2)S
• Uses: Diphenylmethanethiol can be used as a reactant and a catalyst.

Technology Process of Diphenylmethanethiol

There total 24 articles about Diphenylmethanethiol 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: 97.5%

Bromodiphenylmethane (776-74-9) → diphenylmethanethiol (4237-48-3)

Guidance literature:

With hydrogenchloride; sodium hydroxide; thiourea; In water;

Reference yield: 94.0%

1,1-Diphenylmethanol (91-01-0) → diphenylmethanethiol (4237-48-3)

Guidance literature:

With Lawessons reagent; In toluene; for 0.5h; Heating;

Reference yield: 61.0%

Lawessons reagent (19172-47-5,94367-93-8) + 1,1-Diphenylmethanol (91-01-0) → diphenylmethanethiol (4237-48-3) + dibenzhydryl 4-methoxyphenyltrithiophosphonate

Guidance literature:

In toluene; for 0.25h; Reflux;

DOI:10.1080/17415993.2017.1313257

upstream raw materials:

1,1-Diphenylmethanol

1-Benzyl-1,4-dihydronicotinamide

ethanol

Thiobenzophenon

Downstream raw materials:

benzhydryl-isopropyl sulfone

dibenzhydryl trisulfide

dibenzhydryl tetrasulfide

bis(diphenylmethyl)disulfide