4-((E)-((E)-2-methyl-3-phenylallylidene)amino)-5-(o-tolyl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-((E)-((E)-2-methyl-3-phenylallylidene)amino)-5-(o-tolyl)-4H-1,2,4-triazole-3-thiol (CAS 489401-66-3) is a chemical compound with molecular formula C19H18N4S and molecular weight 334.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-methylphenyl)-4-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione
Also Known As: 4-((E)-((E)-2-methyl-3-phenylallylidene)amino)-5-(o-tolyl)-4H-1,2,4-triazole-3-thiol, 5-(2-METHYLPHENYL)4-((2-ME-3-PH-2-PROPENYLIDENE)AMINO)-4H-1,2,4-TRIAZOLE-3-THIOL, 3-(2-methylphenyl)-4-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione, 4-((1E,3E)-3-methyl-4-phenyl-1-azabuta-1,3-dienyl)-5-(2-methylphenyl)-1,2,4-tr iazole-3-thiol, 5-(2-methylphenyl)-4-[(2-methyl-3-phenyl-2-propen-1-ylidene)amino]-4H-1,2,4-triazole-3-thiol
| Molecular Formula | C19H18N4S |
|---|---|
| Molecular Weight | 334.13 g/mol |
| LogP | 4.85351 |
| Topological Polar Surface Area | 45.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 334.1252 |
| Heavy Atoms | 24 |
| Complexity | 948.75305 |
Chemical Identifiers
| CAS Number | 489401-66-3 |
|---|---|
| SMILES | CC1=CC=CC=C1C2=NNC(=S)N2/N=C/C(=C/C3=CC=CC=C3)/C |
Product Overview
4-((E)-((E)-2-methyl-3-phenylallylidene)amino)-5-(o-tolyl)-4H-1,2,4-triazole-3-thiol (CAS 489401-66-3), with molecular formula C19H18N4S and molecular weight 334.13 g/mol. IUPAC: 3-(2-methylphenyl)-4-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-((E)-((E)-2-methyl-3-phenylallylidene)amino)-5-(o-tolyl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-((E)-((E)-2-methyl-3-phenylallylidene)amino)-5-(o-tolyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 4.85351 indicates that 4-((E)-((E)-2-methyl-3-phenylallylidene)amino)-5-(o-tolyl)-4H-1,2,4-triazole-3-thiol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.97 Ų, 4-((E)-((E)-2-methyl-3-phenylallylidene)amino)-5-(o-tolyl)-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-((E)-((E)-2-methyl-3-phenylallylidene)amino)-5-(o-tolyl)-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-((E)-((E)-2-methyl-3-phenylallylidene)amino)-5-(o-tolyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-((E)-((E)-2-methyl-3-phenylallylidene)amino)-5-(o-tolyl)-4H-1,2,4-triazole-3-thiol is 489401-66-3.
What is the molecular formula of 4-((E)-((E)-2-methyl-3-phenylallylidene)amino)-5-(o-tolyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-((E)-((E)-2-methyl-3-phenylallylidene)amino)-5-(o-tolyl)-4H-1,2,4-triazole-3-thiol is C19H18N4S.
What is the molecular weight of 4-((E)-((E)-2-methyl-3-phenylallylidene)amino)-5-(o-tolyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-((E)-((E)-2-methyl-3-phenylallylidene)amino)-5-(o-tolyl)-4H-1,2,4-triazole-3-thiol is 334.13 g/mol.
Where can I buy 4-((E)-((E)-2-methyl-3-phenylallylidene)amino)-5-(o-tolyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-((E)-((E)-2-methyl-3-phenylallylidene)amino)-5-(o-tolyl)-4H-1,2,4-triazole-3-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-((E)-((E)-2-methyl-3-phenylallylidene)amino)-5-(o-tolyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-((E)-((E)-2-methyl-3-phenylallylidene)amino)-5-(o-tolyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.