N-[(E)-{5-[(4-methylphenyl)sulfanyl]furan-2-yl}methylidene]-4H-1,2,4-triazol-4-amine

Base Information

• Chemical Name: N-[(E)-{5-[(4-methylphenyl)sulfanyl]furan-2-yl}methylidene]-4H-1,2,4-triazol-4-amine
• CAS No.: 6194-67-8
• Molecular Formula: C14H12N4OS
• Molecular Weight: 284.3363
• DSSTox Substance ID: DTXSID20417555

Synonyms:STK073388;N-[(E)-{5-[(4-methylphenyl)sulfanyl]furan-2-yl}methylidene]-4H-1,2,4-triazol-4-amine;6194-67-8;DTXSID20417555;AKOS005390757;BIM-0033000.P001

Chemical Property of N-[(E)-{5-[(4-methylphenyl)sulfanyl]furan-2-yl}methylidene]-4H-1,2,4-triazol-4-amine

Chemical Property:

• Vapor Pressure: 4.74E-10mmHg at 25°C
• Boiling Point: 497.9°C at 760 mmHg
• Flash Point: 254.9°C
• Density: 1.3g/cm³
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 284.07318219
• Heavy Atom Count: 20
• Complexity: 327

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC=C(C=C1)SC2=CC=C(O2)C=NN3C=NN=C3
• Isomeric SMILES: CC1=CC=C(C=C1)SC2=CC=C(O2)/C=N/N3C=NN=C3

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