BENZYL TRISULFIDE

Base Information

• Chemical Name: BENZYL TRISULFIDE
• CAS No.: 6493-73-8
• Molecular Formula: C14H14 S3
• Molecular Weight: 278.463
• Hs Code.: 2930909090
• NSC Number: 709944
• UNII: C8U5BEF9RN
• DSSTox Substance ID: DTXSID90215247
• Nikkaji Number: J81.229C
• Wikidata: Q83091230
• ChEMBL ID: CHEMBL378770
• Mol file: 6493-73-8.mol

Synonyms:Benzyltrisulfide (6CI,7CI,8CI); Dibenzyl trisulfide

Chemical Property of BENZYL TRISULFIDE

Chemical Property:

• Vapor Pressure: 6.01E-07mmHg at 25°C
• Melting Point: 46-48oC(lit.)
• Refractive Index: 1.6200 (estimate)
• Boiling Point: 160-163 °C0.01 mm Hg(lit.)
• Flash Point: 214.9°C
• PSA: 75.90000
• Density: 1.238g/cm³
• LogP: 5.41640
• Storage Temp.: -20?C Freezer
• XLogP3: 4.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 6
• Exact Mass: 278.02576397
• Heavy Atom Count: 17
• Complexity: 164

Purity/Quality:

97% ^*data from raw suppliers

BenzylTrisulfide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CSSSCC2=CC=CC=C2
• Uses: A secondary metabolite of Petiveria alliacea, on erythrocyte elasticity, relaxation time and membrane morphol. An antibacterial and antifungal agent.

Technology Process of BENZYL TRISULFIDE

There total 43 articles about BENZYL TRISULFIDE 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%

SS-benzyl O-methyl carbono(dithioperoxoate) (61775-34-6) → dibenzyltrisulfide (6493-73-8)

Guidance literature:

With 2C₁₈H₁₉N₄SZn⁽¹⁺⁾*2ClO₄^(1-)*H₂O; In dimethyl sulfoxide;

DOI:10.1002/ejic.201100527

Reference yield: 100.0%

benzenemethanesulfenyl chloride (26826-81-3) → dibenzyltrisulfide (6493-73-8)

Guidance literature:

With bis(tributyltin)sulfide; In chloroform; at 0 ℃; for 0.2h;

DOI:10.1055/s-1987-28194

Reference yield: 100.0%

Benzylthiosulfenylchlorid (409108-52-7) + phenylmethanethiol (100-53-8) → dibenzyltrisulfide (6493-73-8)

Guidance literature:

With pyridine; In diethyl ether; for 0.5h;

DOI:10.1016/S0040-4039(00)73505-2

upstream raw materials:

dibenzyl tetrasulfide

dibenzyl pentasulfide

phenylmethanethiol

methyl iodide

Downstream raw materials:

dibenzyl disulphide

di(p-tolyl) disulfide

phenyl phenylmethyl disulfide

Benzyl 4-methylphenyl trisulfane