![3-(4-chlorophenyl)-4-[(E)-furan-2-ylmethylideneamino]-1H-1,2,4-triazole-5-thione structure](/static/products/128/1286170-17-9.webp)
3-(4-chlorophenyl)-4-[(E)-furan-2-ylmethylideneamino]-1H-1,2,4-triazole-5-thione
TL;DR: 3-(4-chlorophenyl)-4-[(E)-furan-2-ylmethylideneamino]-1H-1,2,4-triazole-5-thione (CAS 1286170-17-9) is a chemical compound with molecular formula C13H9ClN4OS and molecular weight 304.01855 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-chlorophenyl)-4-[(E)-furan-2-ylmethylideneamino]-1H-1,2,4-triazole-5-thione
Also Known As: 3-(4-chlorophenyl)-4-[(E)-furan-2-ylmethylideneamino]-1H-1,2,4-triazole-5-thione, (E)-5-(4-chlorophenyl)-4-((furan-2-ylmethylene)amino)-4H-1,2,4-triazole-3-thiol, 5-(4-chlorophenyl)-4-{[(E)-2-furylmethylidene]amino}-4H-1,2,4-triazol-3-yl hydrosulfide, 5-(4-Chloro-phenyl)-4-{[1-furan-2-yl-meth-(E)-ylidene]-amino}-4H-[1,2,4]triazole-3-thiol, 5-(4-Chlorophenyl)-4-{(E)-[(furan-2-yl)methylidene]amino}-2,4-dihydro-3H-1,2,4-triazole-3-thione
Technical Specifications
| Molecular Formula | C13H9ClN4OS |
| Molecular Weight | 304.01855 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 85.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 304.01855 Da |
| Heavy Atoms | 20 |
| Complexity | 434.0 |
| SMILES | C1=COC(=C1)/C=N/N2C(=NNC2=S)C3=CC=C(C=C3)Cl |
| InChIKey | NYTPKMNDCPIZLZ-OVCLIPMQSA-N |
Chemical Property Profile of 3-(4-chlorophenyl)-4-[(E)-furan-2-ylmethylideneamino]-1H-1,2,4-triazole-5-thione
Property Insights of 3-(4-chlorophenyl)-4-[(E)-furan-2-ylmethylideneamino]-1H-1,2,4-triazole-5-thione
The XLogP value of 3.3 indicates that 3-(4-chlorophenyl)-4-[(E)-furan-2-ylmethylideneamino]-1H-1,2,4-triazole-5-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-chlorophenyl)-4-[(E)-furan-2-ylmethylideneamino]-1H-1,2,4-triazole-5-thione. Following Lipinski's Rule of Five, 3-(4-chlorophenyl)-4-[(E)-furan-2-ylmethylideneamino]-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
What is the CAS number of 3-(4-chlorophenyl)-4-[(E)-furan-2-ylmethylideneamino]-1H-1,2,4-triazole-5-thione?
The CAS number of 3-(4-chlorophenyl)-4-[(E)-furan-2-ylmethylideneamino]-1H-1,2,4-triazole-5-thione is 1286170-17-9.
What is the molecular formula of 3-(4-chlorophenyl)-4-[(E)-furan-2-ylmethylideneamino]-1H-1,2,4-triazole-5-thione?
The molecular formula of 3-(4-chlorophenyl)-4-[(E)-furan-2-ylmethylideneamino]-1H-1,2,4-triazole-5-thione is C13H9ClN4OS.
What is the molecular weight of 3-(4-chlorophenyl)-4-[(E)-furan-2-ylmethylideneamino]-1H-1,2,4-triazole-5-thione?
The molecular weight of 3-(4-chlorophenyl)-4-[(E)-furan-2-ylmethylideneamino]-1H-1,2,4-triazole-5-thione is 304.01855 g/mol.
Where can I buy 3-(4-chlorophenyl)-4-[(E)-furan-2-ylmethylideneamino]-1H-1,2,4-triazole-5-thione?
You can request a quote for 3-(4-chlorophenyl)-4-[(E)-furan-2-ylmethylideneamino]-1H-1,2,4-triazole-5-thione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(4-chlorophenyl)-4-[(E)-furan-2-ylmethylideneamino]-1H-1,2,4-triazole-5-thione?
Yes, CoreyChem provides custom synthesis services for 3-(4-chlorophenyl)-4-[(E)-furan-2-ylmethylideneamino]-1H-1,2,4-triazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.