5-(2,4-Dichlorobenzylthio)-2-mercapto-1,3,4-thiadiazole

Base Information

• Chemical Name: 5-(2,4-Dichlorobenzylthio)-2-mercapto-1,3,4-thiadiazole
• CAS No.: 136384-19-5
• Molecular Formula: C9H6Cl2N2S3
• Molecular Weight: 309.26
• DSSTox Substance ID: DTXSID70375732
• Nikkaji Number: J417.441K
• Wikidata: Q82164387
• Mol file: 136384-19-5.mol

Synonyms:136384-19-5;5-(2,4-Dichlorobenzylthio)-2-mercapto-1,3,4-thiadiazole;5-[(2,4-dichlorophenyl)methylsulfanyl]-3H-1,3,4-thiadiazole-2-thione;5-((2,4-Dichlorobenzyl)thio)-1,3,4-thiadiazole-2-thiol;5-[(2,4-dichlorophenyl)methylthio]-3H-1,3,4-thiadiazole-2-thione;DTXSID70375732;XPKHYWRIWANKDK-UHFFFAOYSA-N;MFCD02946288;A807072;J-006841;5-(2,4-dichlorobenzylthio)-1,3,4-thiadiazole-2-thiol;5-[(2,4-Dichlorobenzyl)thio]-1,3,4-thiadiazole-2(3H)-thione;1,3,4-Thiadiazole-2(3H)-thione, 5-[[(2,4-dichlorophenyl)methyl]thio]-;5-{[(2,4-Dichlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazole-2(3H)-thione

Chemical Property of 5-(2,4-Dichlorobenzylthio)-2-mercapto-1,3,4-thiadiazole

Chemical Property:

• Vapor Pressure: 3.45E-07mmHg at 25°C
• Refractive Index: 1.767
• Boiling Point: 417.8°Cat760mmHg
• Flash Point: 206.5°C
• PSA: 118.12000
• Density: 1.66g/cm³
• LogP: 4.42590
• XLogP3: 4.6
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 307.9070171
• Heavy Atom Count: 16
• Complexity: 311

Purity/Quality:

97% ^*data from raw suppliers

5-((2,4-Dichlorobenzyl)thio)-1,3,4-thiadiazole-2-thiol 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1Cl)Cl)CSC2=NNC(=S)S2
• Uses: thiadiazole pharmaceutical intermediate

Technology Process of 5-(2,4-Dichlorobenzylthio)-2-mercapto-1,3,4-thiadiazole

There total 2 articles about 5-(2,4-Dichlorobenzylthio)-2-mercapto-1,3,4-thiadiazole 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: 91.0%

1,3,4-thiadiazolidine-2,5-dithione (1072-71-5,30555-21-6) → 2-(2,4-dichlorobenzylthio)-1,3,4-thiadiazole-5(4H)-thione (136384-19-5)

Guidance literature:

With potassium hydroxide; In ethanol; for 8h; Heating;

Reference yield: 91.0%

1,3,4-thiadiazolidine-2,5-dithione (1072-71-5,30555-21-6) → 2-(2,4-dichlorobenzylthio)-1,3,4-thiadiazole-5(4H)-thione (136384-19-5)

Guidance literature:

With potassium hydroxide; 2,4-dichlorobenzyl halide; In ethanol; for 8h; Heating; other substrates;

upstream raw materials:

1,3,4-thiadiazolidine-2,5-dithione