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

Base Information

• Chemical Name: 5-(3-Chlorobenzylthio)-2-mercapto-1,3,4-thiadiazole
• CAS No.: 444791-16-6
• Molecular Formula: C9H7 Cl N2 S3
• Molecular Weight: 274.81
• DSSTox Substance ID: DTXSID10375731
• Wikidata: Q82164385
• Mol file: 444791-16-6.mol

Synonyms:444791-16-6;5-(3-Chlorobenzylthio)-2-mercapto-1,3,4-thiadiazole;5-[(3-chlorophenyl)methylsulfanyl]-3H-1,3,4-thiadiazole-2-thione;5-((3-Chlorobenzyl)thio)-1,3,4-thiadiazole-2-thiol;1,3,4-Thiadiazole-2(3H)-thione,5-[[(3-chlorophenyl)methyl]thio]-;DTXSID10375731;MFCD02946287;FT-0644691;5-(3-chlorobenzylthio)-1,3,4-thiadiazole-2-thiol;5-{[(3-Chlorophenyl)methyl]sulfanyl}-1,3,4-thiadiazole-2(3H)-thione

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

Chemical Property:

• Vapor Pressure: 2.43E-06mmHg at 25°C
• Refractive Index: 1.756
• Boiling Point: 391.6°C at 760 mmHg
• Flash Point: 190.7°C
• Density: 1.55g/cm³
• XLogP3: 4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 273.9459894
• Heavy Atom Count: 15
• Complexity: 283

Purity/Quality:

98%Min ^*data from raw suppliers

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

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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