1-(thiophen-3-yl)-N-(4H-1,2,4-triazol-4-yl)methanimine
TL;DR: 1-(thiophen-3-yl)-N-(4H-1,2,4-triazol-4-yl)methanimine (CAS 125142-81-6) is a chemical compound with molecular formula C7H6N4S and molecular weight 178.03131 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-thiophen-3-yl-N-(1,2,4-triazol-4-yl)methanimine
Also Known As: Bionet2_000613, N-[(Z)-3-thienylmethylidene]-4H-1,2,4-triazol-4-amine, 1-(thiophen-3-yl)-N-(4H-1,2,4-triazol-4-yl)methanimine, 1-thiophen-3-yl-N-(1,2,4-triazol-4-yl)methanimine
Technical Specifications
| Molecular Formula | C7H6N4S |
| Molecular Weight | 178.03131 g/mol |
| XLogP | 0.8 |
| Topological Polar Surface Area (TPSA) | 71.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 178.03131 Da |
| Heavy Atoms | 12 |
| Complexity | 167.0 |
| SMILES | C1=CSC=C1C=NN2C=NN=C2 |
| InChIKey | YAJDZYZPNMAOEJ-UHFFFAOYSA-N |
Chemical Property Profile of 1-(thiophen-3-yl)-N-(4H-1,2,4-triazol-4-yl)methanimine
Property Insights of 1-(thiophen-3-yl)-N-(4H-1,2,4-triazol-4-yl)methanimine
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(thiophen-3-yl)-N-(4H-1,2,4-triazol-4-yl)methanimine. The TPSA of 71.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(thiophen-3-yl)-N-(4H-1,2,4-triazol-4-yl)methanimine. Following Lipinski's Rule of Five, 1-(thiophen-3-yl)-N-(4H-1,2,4-triazol-4-yl)methanimine has 0 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 1-(thiophen-3-yl)-N-(4H-1,2,4-triazol-4-yl)methanimine?
The CAS number of 1-(thiophen-3-yl)-N-(4H-1,2,4-triazol-4-yl)methanimine is 125142-81-6.
What is the molecular formula of 1-(thiophen-3-yl)-N-(4H-1,2,4-triazol-4-yl)methanimine?
The molecular formula of 1-(thiophen-3-yl)-N-(4H-1,2,4-triazol-4-yl)methanimine is C7H6N4S.
What is the molecular weight of 1-(thiophen-3-yl)-N-(4H-1,2,4-triazol-4-yl)methanimine?
The molecular weight of 1-(thiophen-3-yl)-N-(4H-1,2,4-triazol-4-yl)methanimine is 178.03131 g/mol.
Where can I buy 1-(thiophen-3-yl)-N-(4H-1,2,4-triazol-4-yl)methanimine?
You can request a quote for 1-(thiophen-3-yl)-N-(4H-1,2,4-triazol-4-yl)methanimine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(thiophen-3-yl)-N-(4H-1,2,4-triazol-4-yl)methanimine?
Yes, CoreyChem provides custom synthesis services for 1-(thiophen-3-yl)-N-(4H-1,2,4-triazol-4-yl)methanimine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.