4,5-Bis(2-chloroethylsulfanyl)-1,3-dithiole-2-thione

Base Information

• Chemical Name: 4,5-Bis(2-chloroethylsulfanyl)-1,3-dithiole-2-thione
• CAS No.: 138682-23-2
• Molecular Formula: C7H8Cl2S5
• Molecular Weight: 0
• DSSTox Substance ID: DTXSID80445213
• Wikidata: Q82263566
• Mol file: 138682-23-2.mol

Synonyms:4,5-bis(2-chloroethylsulfanyl)-1,3-dithiole-2-thione;138682-23-2;4,5-Bis-(2-chloro-ethylsulfanyl)-[1,3]dithiole-2-thione;4,5-Bis[(2-chloroethyl)sulfanyl]-2H-1,3-dithiole-2-thione;DTXSID80445213;HLRXHTBVKQNVPR-UHFFFAOYSA-N;bis[(2-chloroethyl)sulfanyl]-2H-1,3-dithiole-2-thione

Chemical Property of 4,5-Bis(2-chloroethylsulfanyl)-1,3-dithiole-2-thione

Chemical Property:

• PSA: 139.17000
• LogP: 5.20090
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 6
• Exact Mass: 321.8606615
• Heavy Atom Count: 14
• Complexity: 218

Purity/Quality:

4,5-BIS-(2-CHLORO-ETHYLSULFANYL)-[1,3]DITHIOLE-2-THIONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C(CCl)SC1=C(SC(=S)S1)SCCCl

Technology Process of 4,5-Bis(2-chloroethylsulfanyl)-1,3-dithiole-2-thione

There total 2 articles about 4,5-Bis(2-chloroethylsulfanyl)-1,3-dithiole-2-thione 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: 97.0%

4,5-Bis[(2'-tosylethyl)thio]-1,3-dithiole-2-thione (141801-55-0) → 4,5-Bis-(2-chloro-ethylsulfanyl)-[1,3]dithiole-2-thione (138682-23-2)

Guidance literature:

With sodium chloride; In N,N-dimethyl-formamide; at 80 ℃; for 12h;

DOI:10.1021/jo962239x

Reference yield: 83.0%

4,5-bis[(2'-hydroxyethyl)thio]1,3-dithiole-2-thione (128258-71-9) → 4,5-Bis-(2-chloro-ethylsulfanyl)-[1,3]dithiole-2-thione (138682-23-2)

Guidance literature:

With thionyl chloride; In dichloromethane; 1.) 0 deg C, 0.5 h, 2.) reflux, 1 h;

DOI:10.1039/c39910001638

Reference yield: 94.0%

4,5-Bis-(2-chloro-ethylsulfanyl)-[1,3]dithiole-2-thione (138682-23-2) → 4,5-bis(2-chloroethylthio)-1,3-dithiol-2-one (128258-74-2)

Guidance literature:

With mercury(II) diacetate; In chloroform; acetic acid; for 2h; Ambient temperature;

DOI:10.1021/jo962239x

upstream raw materials:

4,5-bis[(2'-hydroxyethyl)thio]1,3-dithiole-2-thione

4,5-Bis[(2'-tosylethyl)thio]-1,3-dithiole-2-thione

Downstream raw materials:

<2,2'>-Bis-<1,3>dithiolanyliden

4,5-bis(2-chloroethylthio)-1,3-dithiol-2-one