4-((2,3-Dichlorobenzylidene)amino)-5-(4-pyridinyl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-((2,3-Dichlorobenzylidene)amino)-5-(4-pyridinyl)-4H-1,2,4-triazole-3-thiol (CAS 488745-76-2) is a chemical compound with molecular formula C14H9Cl2N5S and molecular weight 349.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-(2,3-dichlorophenyl)methylideneamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione
Also Known As: J2.691.995I, (E)-4-((2,3-dichlorobenzylidene)amino)-5-(pyridin-4-yl)-4H-1,2,4-triazole-3-thiol, 4-((2,3-DICHLOROBENZYLIDENE)AMINO)-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOLE-3-THIOL, 4-(2,3-Dichlorobenzylideneamino)-3-(4-pyridinyl)-4H-1,2,4-triazole-5-thiol, 4-[(1E)-2-(2,3-dichlorophenyl)-1-azavinyl]-5-(4-pyridyl)-1,2,4-triazole-3-thio l
| Molecular Formula | C14H9Cl2N5S |
|---|---|
| Molecular Weight | 349.00 g/mol |
| LogP | 4.19169 |
| Topological Polar Surface Area | 58.86 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 348.99557 |
| Heavy Atoms | 22 |
| Complexity | 885.7489 |
Chemical Identifiers
| CAS Number | 488745-76-2 |
|---|---|
| SMILES | C1=CC(=C(C(=C1)Cl)Cl)/C=N/N2C(=NNC2=S)C3=CC=NC=C3 |
Product Overview
4-((2,3-Dichlorobenzylidene)amino)-5-(4-pyridinyl)-4H-1,2,4-triazole-3-thiol (CAS 488745-76-2), with molecular formula C14H9Cl2N5S and molecular weight 349.00 g/mol. IUPAC: 4-[(E)-(2,3-dichlorophenyl)methylideneamino]-3-pyridin-4-yl-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-((2,3-Dichlorobenzylidene)amino)-5-(4-pyridinyl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-((2,3-Dichlorobenzylidene)amino)-5-(4-pyridinyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 4.19169 indicates that 4-((2,3-Dichlorobenzylidene)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-((2,3-Dichlorobenzylidene)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-((2,3-Dichlorobenzylidene)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-((2,3-Dichlorobenzylidene)amino)-5-(4-pyridinyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-((2,3-Dichlorobenzylidene)amino)-5-(4-pyridinyl)-4H-1,2,4-triazole-3-thiol is 488745-76-2.
What is the molecular formula of 4-((2,3-Dichlorobenzylidene)amino)-5-(4-pyridinyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-((2,3-Dichlorobenzylidene)amino)-5-(4-pyridinyl)-4H-1,2,4-triazole-3-thiol is C14H9Cl2N5S.
What is the molecular weight of 4-((2,3-Dichlorobenzylidene)amino)-5-(4-pyridinyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-((2,3-Dichlorobenzylidene)amino)-5-(4-pyridinyl)-4H-1,2,4-triazole-3-thiol is 349.00 g/mol.
Where can I buy 4-((2,3-Dichlorobenzylidene)amino)-5-(4-pyridinyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-((2,3-Dichlorobenzylidene)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-((2,3-Dichlorobenzylidene)amino)-5-(4-pyridinyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-((2,3-Dichlorobenzylidene)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.