![4-[(E)-[(E)-2-chloro-3-phenylprop-2-enylidene]amino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione structure](/static/products/497/497864-55-8.png)
4-[(E)-[(E)-2-chloro-3-phenylprop-2-enylidene]amino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione
TL;DR: 4-[(E)-[(E)-2-chloro-3-phenylprop-2-enylidene]amino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione (CAS 497864-55-8) is a chemical compound with molecular formula C16H12ClN5S and molecular weight 341.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-[(E)-2-chloro-3-phenylprop-2-enylidene]amino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione
Also Known As: 4-[(E)-[(E)-2-chloro-3-phenylprop-2-enylidene]amino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione, 4-((E)-((E)-2-chloro-3-phenylallylidene)amino)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol, 4-[(2-chloro-3-phenyl-2-propen-1-ylidene)amino]-5-(4-pyridinyl)-4H-1,2,4-triazole-3-thiol, 4-{[(1E,2E)-2-chloro-3-phenylprop-2-en-1-ylidene]amino}-5-(pyridin-4-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
| Molecular Formula | C16H12ClN5S |
|---|---|
| Molecular Weight | 341.05 g/mol |
| LogP | 4.11649 |
| Topological Polar Surface Area | 58.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 341.0502 |
| Heavy Atoms | 23 |
| Complexity | 896.97986 |
Chemical Identifiers
| CAS Number | 497864-55-8 |
|---|---|
| SMILES | C1=CC=C(C=C1)/C=C(\C=N\N2C(=NNC2=S)C3=CC=NC=C3)/Cl |
Product Overview
4-[(E)-[(E)-2-chloro-3-phenylprop-2-enylidene]amino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione (CAS 497864-55-8), with molecular formula C16H12ClN5S and molecular weight 341.05 g/mol. IUPAC: 4-[(E)-[(E)-2-chloro-3-phenylprop-2-enylidene]amino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-[(E)-[(E)-2-chloro-3-phenylprop-2-enylidene]amino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione
Property Insights of 4-[(E)-[(E)-2-chloro-3-phenylprop-2-enylidene]amino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione
The XLogP value of 4.11649 indicates that 4-[(E)-[(E)-2-chloro-3-phenylprop-2-enylidene]amino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione 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-[(E)-[(E)-2-chloro-3-phenylprop-2-enylidene]amino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[(E)-[(E)-2-chloro-3-phenylprop-2-enylidene]amino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione 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-[(E)-[(E)-2-chloro-3-phenylprop-2-enylidene]amino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione?
The CAS number of 4-[(E)-[(E)-2-chloro-3-phenylprop-2-enylidene]amino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione is 497864-55-8.
What is the molecular formula of 4-[(E)-[(E)-2-chloro-3-phenylprop-2-enylidene]amino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione?
The molecular formula of 4-[(E)-[(E)-2-chloro-3-phenylprop-2-enylidene]amino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione is C16H12ClN5S.
What is the molecular weight of 4-[(E)-[(E)-2-chloro-3-phenylprop-2-enylidene]amino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione?
The molecular weight of 4-[(E)-[(E)-2-chloro-3-phenylprop-2-enylidene]amino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione is 341.05 g/mol.
Where can I buy 4-[(E)-[(E)-2-chloro-3-phenylprop-2-enylidene]amino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione?
You can request a quote for 4-[(E)-[(E)-2-chloro-3-phenylprop-2-enylidene]amino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione 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-chloro-3-phenylprop-2-enylidene]amino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione?
Yes, KEHONG BIO provides custom synthesis services for 4-[(E)-[(E)-2-chloro-3-phenylprop-2-enylidene]amino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.