N-(3-Methylphenyl)-2-(4H-1,2,4-triazol-3-ylsulfanyl)acetamide

Base Information

• Chemical Name: N-(3-Methylphenyl)-2-(4H-1,2,4-triazol-3-ylsulfanyl)acetamide
• CAS No.: 6054-53-1
• Molecular Formula: C19H15 Cl N4 O4
• Molecular Weight: 398.7998
• DSSTox Substance ID: DTXSID30975954
• Wikidata: Q82960685
• Mol file: 6054-53-1.mol

Synonyms:CBMicro_004296;DTXSID30975954;SMSF0012585;AKOS000533689;AKOS001643789;CB06197;BIM-0004244.P001;EU-0074575;SR-01000459689;SR-01000459689-1;N-(3-METHYLPHENYL)-2-(4H-1,2,4-TRIAZOL-3-YLSULFANYL)ACETAMIDE;N-(3-Methylphenyl)-2-[(1H-1,2,4-triazol-3-yl)sulfanyl]ethanimidic acid

Chemical Property of N-(3-Methylphenyl)-2-(4H-1,2,4-triazol-3-ylsulfanyl)acetamide

Chemical Property:

• PSA: 123.03000
• Density: 1.35g/cm³
• LogP: 5.51250
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 4
• Exact Mass: 248.07318219
• Heavy Atom Count: 17
• Complexity: 264

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CC1=CC(=CC=C1)NC(=O)CSC2=NC=NN2