![4-[(2-methyl-3-phenyl-2-propen-1-ylidene)amino]-5-(4-pyridinyl)-4H-1,2,4-triazole-3-thiol structure](/static/products/488/488794-07-6.png)
4-[(2-methyl-3-phenyl-2-propen-1-ylidene)amino]-5-(4-pyridinyl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-[(2-methyl-3-phenyl-2-propen-1-ylidene)amino]-5-(4-pyridinyl)-4H-1,2,4-triazole-3-thiol (CAS 488794-07-6) is a chemical compound with molecular formula C17H15N5S and molecular weight 321.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione
Also Known As: 4-[(2-methyl-3-phenyl-2-propen-1-ylidene)amino]-5-(4-pyridinyl)-4H-1,2,4-triazole-3-thiol, 4-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione, 4-((E)-((Z)-2-methyl-3-phenylallylidene)amino)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol, 4-[[(Z)-2-methyl-3-phenyl-prop-2-enylidene]amino]-3-(4-pyridyl)-1H-1,2,4-triazole-5-thione, 4-[[(Z)-2-methyl-3-phenyl-prop-2-enylidene]amino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione
| Molecular Formula | C17H15N5S |
|---|---|
| Molecular Weight | 321.10 g/mol |
| LogP | 3.94009 |
| Topological Polar Surface Area | 58.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 321.10483 |
| Heavy Atoms | 23 |
| Complexity | 891.493 |
Chemical Identifiers
| CAS Number | 488794-07-6 |
|---|---|
| SMILES | C/C(=C/C1=CC=CC=C1)/C=N/N2C(=NNC2=S)C3=CC=NC=C3 |
Product Overview
4-[(2-methyl-3-phenyl-2-propen-1-ylidene)amino]-5-(4-pyridinyl)-4H-1,2,4-triazole-3-thiol (CAS 488794-07-6), with molecular formula C17H15N5S and molecular weight 321.10 g/mol. IUPAC: 4-[(E)-[(Z)-2-methyl-3-phenylprop-2-enylidene]amino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-[(2-methyl-3-phenyl-2-propen-1-ylidene)amino]-5-(4-pyridinyl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-[(2-methyl-3-phenyl-2-propen-1-ylidene)amino]-5-(4-pyridinyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 3.94009 indicates that 4-[(2-methyl-3-phenyl-2-propen-1-ylidene)amino]-5-(4-pyridinyl)-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 58.86 Ų, 4-[(2-methyl-3-phenyl-2-propen-1-ylidene)amino]-5-(4-pyridinyl)-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-propen-1-ylidene)amino]-5-(4-pyridinyl)-4H-1,2,4-triazole-3-thiol has 1 hydrogen bond donor(s) and 4 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-propen-1-ylidene)amino]-5-(4-pyridinyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-[(2-methyl-3-phenyl-2-propen-1-ylidene)amino]-5-(4-pyridinyl)-4H-1,2,4-triazole-3-thiol is 488794-07-6.
What is the molecular formula of 4-[(2-methyl-3-phenyl-2-propen-1-ylidene)amino]-5-(4-pyridinyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-[(2-methyl-3-phenyl-2-propen-1-ylidene)amino]-5-(4-pyridinyl)-4H-1,2,4-triazole-3-thiol is C17H15N5S.
What is the molecular weight of 4-[(2-methyl-3-phenyl-2-propen-1-ylidene)amino]-5-(4-pyridinyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-[(2-methyl-3-phenyl-2-propen-1-ylidene)amino]-5-(4-pyridinyl)-4H-1,2,4-triazole-3-thiol is 321.10 g/mol.
Where can I buy 4-[(2-methyl-3-phenyl-2-propen-1-ylidene)amino]-5-(4-pyridinyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-[(2-methyl-3-phenyl-2-propen-1-ylidene)amino]-5-(4-pyridinyl)-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-propen-1-ylidene)amino]-5-(4-pyridinyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-[(2-methyl-3-phenyl-2-propen-1-ylidene)amino]-5-(4-pyridinyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.