5-(2-chloro-6-methylpyrimidin-4-yl)-4-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol

Base Information

• Chemical Name: 5-(2-chloro-6-methylpyrimidin-4-yl)-4-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol
• CAS No.: 266337-73-9
• Molecular Formula: C13H9 Cl2 N5 S
• Molecular Weight: 338.22
• DSSTox Substance ID: DTXSID50384120
• Wikidata: Q82176064
• Mol file: 266337-73-9.mol

Synonyms:5-(2-chloro-6-methylpyrimidin-4-yl)-4-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol;266337-73-9;3-(2-chloro-6-methylpyrimidin-4-yl)-4-(4-chlorophenyl)-1H-1,2,4-triazole-5-thione;DTXSID50384120;FT-0761455;5-(2-Chloro-6-methyl-4-pyrimidinyl)-4-(4-chlorophenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione

Chemical Property of 5-(2-chloro-6-methylpyrimidin-4-yl)-4-(4-chlorophenyl)-4H-1,2,4-triazole-3-thiol

Chemical Property:

• PSA: 95.29000
• LogP: 3.62820
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 336.9955719
• Heavy Atom Count: 21
• Complexity: 438

Purity/Quality:

97% ^*data from raw suppliers

5-(2-CHLORO-6-METHYLPYRIMIDIN-4-YL)-4-(4-CHLOROPHENYL)-4H-1,2,4-TRIAZOLE-3-THIOL 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=NC(=N1)Cl)C2=NNC(=S)N2C3=CC=C(C=C3)Cl