![4-[(2,4-dichlorobenzylidene)amino]-5-(2-furyl)-4H-1,2,4-triazole-3-thiol structure](/static/products/488/488725-89-9.png)
4-[(2,4-dichlorobenzylidene)amino]-5-(2-furyl)-4H-1,2,4-triazole-3-thiol
TL;DR: 4-[(2,4-dichlorobenzylidene)amino]-5-(2-furyl)-4H-1,2,4-triazole-3-thiol (CAS 488725-89-9) is a chemical compound with molecular formula C13H8Cl2N4OS and molecular weight 337.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-(furan-2-yl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-[(2,4-dichlorobenzylidene)amino]-5-(2-furyl)-4H-1,2,4-triazole-3-thiol, 4-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-(furan-2-yl)-1H-1,2,4-triazole-5-thione, (E)-4-((2,4-dichlorobenzylidene)amino)-5-(furan-2-yl)-4H-1,2,4-triazole-3-thiol, 4-((2,4-DICHLOROBENZYLIDENE)AMINO)-5-(2-FURYL)-4H-1,2,4-TRIAZOLE-3-THIOL, 4-[(1E)-2-(2,4-dichlorophenyl)-1-azavinyl]-5-(2-furyl)-1,2,4-triazole-3-thiol
| Molecular Formula | C13H8Cl2N4OS |
|---|---|
| Molecular Weight | 337.98 g/mol |
| LogP | 4.38969 |
| Topological Polar Surface Area | 59.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 337.97958 |
| Heavy Atoms | 21 |
| Complexity | 851.436 |
Chemical Identifiers
| CAS Number | 488725-89-9 |
|---|---|
| SMILES | C1=COC(=C1)C2=NNC(=S)N2/N=C/C3=C(C=C(C=C3)Cl)Cl |
Product Overview
4-[(2,4-dichlorobenzylidene)amino]-5-(2-furyl)-4H-1,2,4-triazole-3-thiol (CAS 488725-89-9), with molecular formula C13H8Cl2N4OS and molecular weight 337.98 g/mol. IUPAC: 4-[(E)-(2,4-dichlorophenyl)methylideneamino]-3-(furan-2-yl)-1H-1,2,4-triazole-5-thione.
Chemical Property Profile of 4-[(2,4-dichlorobenzylidene)amino]-5-(2-furyl)-4H-1,2,4-triazole-3-thiol
Property Insights of 4-[(2,4-dichlorobenzylidene)amino]-5-(2-furyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 4.38969 indicates that 4-[(2,4-dichlorobenzylidene)amino]-5-(2-furyl)-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 59.11 Ų, 4-[(2,4-dichlorobenzylidene)amino]-5-(2-furyl)-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-[(2,4-dichlorobenzylidene)amino]-5-(2-furyl)-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-[(2,4-dichlorobenzylidene)amino]-5-(2-furyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 4-[(2,4-dichlorobenzylidene)amino]-5-(2-furyl)-4H-1,2,4-triazole-3-thiol is 488725-89-9.
What is the molecular formula of 4-[(2,4-dichlorobenzylidene)amino]-5-(2-furyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 4-[(2,4-dichlorobenzylidene)amino]-5-(2-furyl)-4H-1,2,4-triazole-3-thiol is C13H8Cl2N4OS.
What is the molecular weight of 4-[(2,4-dichlorobenzylidene)amino]-5-(2-furyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 4-[(2,4-dichlorobenzylidene)amino]-5-(2-furyl)-4H-1,2,4-triazole-3-thiol is 337.98 g/mol.
Where can I buy 4-[(2,4-dichlorobenzylidene)amino]-5-(2-furyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 4-[(2,4-dichlorobenzylidene)amino]-5-(2-furyl)-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-[(2,4-dichlorobenzylidene)amino]-5-(2-furyl)-4H-1,2,4-triazole-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 4-[(2,4-dichlorobenzylidene)amino]-5-(2-furyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.