4-benzyl-5-(2-phenylethyl)-4H-1,2,4-triazole-3-thiol

Base Information

• Chemical Name: 4-benzyl-5-(2-phenylethyl)-4H-1,2,4-triazole-3-thiol
• CAS No.: 124953-85-1
• Molecular Formula: C17H17N3S
• Molecular Weight: 295.4
• ChEMBL ID: CHEMBL1531291
• Mol file: 124953-85-1.mol

Synonyms:4-benzyl-5-(2-phenylethyl)-4H-1,2,4-triazole-3-thiol;124953-85-1;4-Benzyl-5-phenethyl-4H-1,2,4-triazole-3-thiol;4-benzyl-3-(2-phenylethyl)-1H-1,2,4-triazole-5-thione;MLS000575794;Oprea1_307460;5-(2-phenylethyl)-4-benzyl-1,2,4-triazole-3-thiol;CHEMBL1531291;SCHEMBL10480359;HMS2323F06;CCG-25984;MFCD02018928;AKOS001745479;LS-08420;SMR000196829;CS-0329178;EU-0018974;A926364;SR-01000529490;SR-01000529490-1

Chemical Property of 4-benzyl-5-(2-phenylethyl)-4H-1,2,4-triazole-3-thiol

Chemical Property:

• PKA: 8.62±0.20(Predicted)
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 295.11431873
• Heavy Atom Count: 21
• Complexity: 382

Purity/Quality:

97% ^*data from raw suppliers

4-Benzyl-5-phenethyl-4H-1,2,4-triazole-3-thiol 97% ^*data from reagent suppliers

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)CCC2=NNC(=S)N2CC3=CC=CC=C3

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