2-furaldehyde N-(4-methylphenyl)thiosemicarbazone
TL;DR: 2-furaldehyde N-(4-methylphenyl)thiosemicarbazone (CAS 1288339-27-4) is a chemical compound with molecular formula C13H13N3OS and molecular weight 259.07794 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[(E)-furan-2-ylmethylideneamino]-3-(4-methylphenyl)thiourea
Also Known As: 2-furaldehyde N-(4-methylphenyl)thiosemicarbazone, furfuraldehyde-4-p-tolylthiosemicarbazone, AN-329/40238969, 1-[(E)-furan-2-ylmethylideneamino]-3-(4-methylphenyl)thiourea, (2E)-2-(furan-2-ylmethylidene)-N-(4-methylphenyl)hydrazinecarbothioamide
Technical Specifications
| Molecular Formula | C13H13N3OS |
| Molecular Weight | 259.07794 g/mol |
| XLogP | 2.9 |
| Topological Polar Surface Area (TPSA) | 81.7 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 259.07794 Da |
| Heavy Atoms | 18 |
| Complexity | 301.0 |
| SMILES | CC1=CC=C(C=C1)NC(=S)N/N=C/C2=CC=CO2 |
| InChIKey | YBAZSVRPHROGCE-NTEUORMPSA-N |
Chemical Property Profile of 2-furaldehyde N-(4-methylphenyl)thiosemicarbazone
Property Insights of 2-furaldehyde N-(4-methylphenyl)thiosemicarbazone
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-furaldehyde N-(4-methylphenyl)thiosemicarbazone. The TPSA of 81.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-furaldehyde N-(4-methylphenyl)thiosemicarbazone. Following Lipinski's Rule of Five, 2-furaldehyde N-(4-methylphenyl)thiosemicarbazone has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-furaldehyde N-(4-methylphenyl)thiosemicarbazone?
The CAS number of 2-furaldehyde N-(4-methylphenyl)thiosemicarbazone is 1288339-27-4.
What is the molecular formula of 2-furaldehyde N-(4-methylphenyl)thiosemicarbazone?
The molecular formula of 2-furaldehyde N-(4-methylphenyl)thiosemicarbazone is C13H13N3OS.
What is the molecular weight of 2-furaldehyde N-(4-methylphenyl)thiosemicarbazone?
The molecular weight of 2-furaldehyde N-(4-methylphenyl)thiosemicarbazone is 259.07794 g/mol.
Where can I buy 2-furaldehyde N-(4-methylphenyl)thiosemicarbazone?
You can request a quote for 2-furaldehyde N-(4-methylphenyl)thiosemicarbazone directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-furaldehyde N-(4-methylphenyl)thiosemicarbazone?
Yes, CoreyChem provides custom synthesis services for 2-furaldehyde N-(4-methylphenyl)thiosemicarbazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.