S-(2-benzoylsulfanylethyl) benzenecarbothioate

Base Information

• Chemical Name: S-(2-benzoylsulfanylethyl) benzenecarbothioate
• CAS No.: 51290-80-3
• Molecular Formula: C16H14O2S2
• Molecular Weight: 302.418
• NSC Number: 191855
• DSSTox Substance ID: DTXSID80307509
• Nikkaji Number: J2.763.224F
• Wikidata: Q82054921
• Mol file: 51290-80-3.mol

Synonyms:51290-80-3;S-(2-benzoylsulfanylethyl) benzenecarbothioate;NSC191855;SCHEMBL16047247;DTXSID80307509;NSC-191855

Chemical Property of S-(2-benzoylsulfanylethyl) benzenecarbothioate

Chemical Property:

• Boiling Point: 424.1°Cat760mmHg
• Flash Point: 178.8°C
• Density: 1.253g/cm³
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 7
• Exact Mass: 302.04352203
• Heavy Atom Count: 20
• Complexity: 286

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of S-(2-benzoylsulfanylethyl) benzenecarbothioate

There total 12 articles about S-(2-benzoylsulfanylethyl) benzenecarbothioate 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: 83.0%

ethylene dibromide (106-93-4) + benzoic acid (65-85-0,8013-63-6) → S,S'-ethane-1,2-diyl dibenzothioate (51290-80-3)

Guidance literature:

benzoic acid; With N-Bromosuccinimide; triphenylphosphine; In chloroform; at 28 ℃;

With benzyltriethylammonium tetrathiomolybdate; In chloroform; at 28 ℃;

ethylene dibromide; In chloroform; at 28 ℃;

DOI:10.1021/jo9009694

Reference yield: 62.0%

benzoyl chloride (98-88-4) + ethylene dibromide (106-93-4) → S,S'-ethane-1,2-diyl dibenzothioate (51290-80-3)

Guidance literature:

With potassium carbonate; thiourea; In water; at 60 ℃; for 8h;

DOI:10.1002/adsc.201201059

Reference yield: 48.0%

S-(2-Mercaptoethyl) thiobenzoate (132975-07-6) + toluene (108-88-3,15644-74-3,16713-13-6) → S,S'-ethane-1,2-diyl dibenzothioate (51290-80-3)

Guidance literature:

With tert.-butylhydroperoxide; iron(II) bromide; In water; at 100 ℃; for 12h; Sealed tube;

DOI:10.1016/j.tetlet.2014.10.155

upstream raw materials:

benzoyl chloride

ethane-1,2-dithiol

5,6-diphenyl-2,3-dihydro-1,4-dithiine

thiobenzoic acid