3-Chloro-4-ethoxy-N-{[3-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]carbamothioyl}benzamide

Base Information

• Chemical Name: 3-Chloro-4-ethoxy-N-{[3-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]carbamothioyl}benzamide
• CAS No.: 5329-72-6
• Molecular Formula: C20H17ClN6O2S2
• Molecular Weight: 472.971
• DSSTox Substance ID: DTXSID80412849
• Wikidata: Q82220506

Synonyms:5329-72-6;DTXSID80412849;3-Chloro-4-ethoxy-N-{[3-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]carbamothioyl}benzamide

Chemical Property of 3-Chloro-4-ethoxy-N-{[3-(3-methyl[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]carbamothioyl}benzamide

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• Density: 1.53g/cm³
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 472.0542938
• Heavy Atom Count: 31
• Complexity: 661

Purity/Quality:

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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=C(C=C(C=C1)C(=O)NC(=S)NC2=CC=CC(=C2)C3=NN4C(=NN=C4S3)C)Cl

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