4-((2-Methyl-3-phenyl-2-propenylidene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol
TL;DR: 4-((2-Methyl-3-phenyl-2-propenylidene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol (CAS 418802-02-5) is a chemical compound with molecular formula C18H16N4S and molecular weight 320.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-3-phenyl-1H-1,2,4-triazole-5-thione
Also Known As: 4-((2-METHYL-3-PHENYL-2-PROPENYLIDENE)AMINO)-5-PHENYL-4H-1,2,4-TRIAZOLE-3-THIOL, 4-((E)-((E)-2-methyl-3-phenylallylidene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol, 4-[(2-methyl-3-phenyl-2-propen-1-ylidene)amino]-5-phenyl-4H-1,2,4-triazole-3-thiol, 4-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-3-phenyl-1H-1,2,4-triazole-5-thione, 4-{[(1E,2E)-2-methyl-3-phenylprop-2-en-1-ylidene]amino}-5-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C18H16N4S |
|---|---|
| Molecular Weight | 320.11 g/mol |
| LogP | 4.54509 |
| Topological Polar Surface Area | 45.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 320.10956 |
| Heavy Atoms | 23 |
| Complexity | 889.5308 |
Chemical Identifiers
| CAS Number | 418802-02-5 |
|---|---|
| SMILES | C/C(=C\C1=CC=CC=C1)/C=N/N2C(=NNC2=S)C3=CC=CC=C3 |
Product Overview
4-((2-Methyl-3-phenyl-2-propenylidene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol (CAS 418802-02-5), with molecular formula C18H16N4S and molecular weight 320.11 g/mol. IUPAC: 4-[(E)-[(E)-2-methyl-3-phenylprop-2-enylidene]amino]-3-phenyl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-((2-Methyl-3-phenyl-2-propenylidene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol
Property Insights of 4-((2-Methyl-3-phenyl-2-propenylidene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol
The XLogP value of 4.54509 indicates that 4-((2-Methyl-3-phenyl-2-propenylidene)amino)-5-phenyl-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-((2-Methyl-3-phenyl-2-propenylidene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-((2-Methyl-3-phenyl-2-propenylidene)amino)-5-phenyl-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-((2-Methyl-3-phenyl-2-propenylidene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-((2-Methyl-3-phenyl-2-propenylidene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol is 418802-02-5.
What is the molecular formula of 4-((2-Methyl-3-phenyl-2-propenylidene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-((2-Methyl-3-phenyl-2-propenylidene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol is C18H16N4S.
What is the molecular weight of 4-((2-Methyl-3-phenyl-2-propenylidene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-((2-Methyl-3-phenyl-2-propenylidene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol is 320.11 g/mol.
Where can I buy 4-((2-Methyl-3-phenyl-2-propenylidene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-((2-Methyl-3-phenyl-2-propenylidene)amino)-5-phenyl-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-((2-Methyl-3-phenyl-2-propenylidene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-((2-Methyl-3-phenyl-2-propenylidene)amino)-5-phenyl-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.