s-Triazole-2-thiol, 5-(4-biphenoxymethyl)-1-(p-iodophenyl)-

Base Information

• Chemical Name: s-Triazole-2-thiol, 5-(4-biphenoxymethyl)-1-(p-iodophenyl)-
• CAS No.: 68869-51-2
• Molecular Formula: C21H16IN3OS
• Molecular Weight: 485.3407
• DSSTox Substance ID: DTXSID30218959
• Wikidata: Q83095871
• Mol file: 68869-51-2.mol

Synonyms:s-Triazole-2-thiol, 5-(4-biphenoxymethyl)-1-(p-iodophenyl)-;68869-51-2;5-(4-Biphenoxymethyl)-1-(4-iodophenyl)-1H-1,2,4-triazole-2-thiol;3H-1,2,4-Triazole-3-thione, 5-(((1,1'-biphenyl)-4-yloxy)methyl)-2,4-dihydro-4-(4-iodophenyl)-;C21H16IN3OS;DTXSID30218959;C21-H16-I-N3-O-S;LS-156118

Chemical Property of s-Triazole-2-thiol, 5-(4-biphenoxymethyl)-1-(p-iodophenyl)-

Chemical Property:

• Vapor Pressure: 2.02E-13mmHg at 25°C
• Boiling Point: 579.4°Cat760mmHg
• Flash Point: 304.2°C
• PSA: 78.74000
• Density: 1.56g/cm³
• LogP: 5.40660
• XLogP3: 5.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 485.00588
• Heavy Atom Count: 27
• Complexity: 536

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=CC=C(C=C2)OCC3=NNC(=S)N3C4=CC=C(C=C4)I