![5-Benzyl-4-naphthalen-1-yl-2,4-dihydro-[1,2,4]triazole-3-thione structure](/static/products/797/797798-18-6.webp)
5-Benzyl-4-naphthalen-1-yl-2,4-dihydro-[1,2,4]triazole-3-thione
TL;DR: 5-Benzyl-4-naphthalen-1-yl-2,4-dihydro-[1,2,4]triazole-3-thione (CAS 797798-18-6) is a chemical compound with molecular formula C19H15N3S and molecular weight 317.09866 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-benzyl-4-naphthalen-1-yl-1H-1,2,4-triazole-5-thione
Also Known As: 3-benzyl-4-naphthalen-1-yl-1H-1,2,4-triazole-5-thione, 5-benzyl-4-(naphthalen-1-yl)-4H-1,2,4-triazole-3-thiol, 3-benzyl-4-(naphthalen-1-yl)-1H-1,2,4-triazole-5(4H)-thione, 5-Benzyl-4-naphthalen-1-yl-2,4-dihydro-[1,2,4]triazole-3-thione, 5-benzyl-4-(naphthalen-1-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Technical Specifications
| Molecular Formula | C19H15N3S |
| Molecular Weight | 317.09866 g/mol |
| XLogP | 4.4 |
| Topological Polar Surface Area (TPSA) | 59.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 317.09866 Da |
| Heavy Atoms | 23 |
| Complexity | 469.0 |
| SMILES | C1=CC=C(C=C1)CC2=NNC(=S)N2C3=CC=CC4=CC=CC=C43 |
| InChIKey | LUHPSDBTHKIKDB-UHFFFAOYSA-N |
Chemical Property Profile of 5-Benzyl-4-naphthalen-1-yl-2,4-dihydro-[1,2,4]triazole-3-thione
Property Insights of 5-Benzyl-4-naphthalen-1-yl-2,4-dihydro-[1,2,4]triazole-3-thione
The XLogP value of 4.4 indicates that 5-Benzyl-4-naphthalen-1-yl-2,4-dihydro-[1,2,4]triazole-3-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.7 Ų, 5-Benzyl-4-naphthalen-1-yl-2,4-dihydro-[1,2,4]triazole-3-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Benzyl-4-naphthalen-1-yl-2,4-dihydro-[1,2,4]triazole-3-thione has 1 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 5-Benzyl-4-naphthalen-1-yl-2,4-dihydro-[1,2,4]triazole-3-thione?
The CAS number of 5-Benzyl-4-naphthalen-1-yl-2,4-dihydro-[1,2,4]triazole-3-thione is 797798-18-6.
What is the molecular formula of 5-Benzyl-4-naphthalen-1-yl-2,4-dihydro-[1,2,4]triazole-3-thione?
The molecular formula of 5-Benzyl-4-naphthalen-1-yl-2,4-dihydro-[1,2,4]triazole-3-thione is C19H15N3S.
What is the molecular weight of 5-Benzyl-4-naphthalen-1-yl-2,4-dihydro-[1,2,4]triazole-3-thione?
The molecular weight of 5-Benzyl-4-naphthalen-1-yl-2,4-dihydro-[1,2,4]triazole-3-thione is 317.09866 g/mol.
Where can I buy 5-Benzyl-4-naphthalen-1-yl-2,4-dihydro-[1,2,4]triazole-3-thione?
You can request a quote for 5-Benzyl-4-naphthalen-1-yl-2,4-dihydro-[1,2,4]triazole-3-thione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Benzyl-4-naphthalen-1-yl-2,4-dihydro-[1,2,4]triazole-3-thione?
Yes, CoreyChem provides custom synthesis services for 5-Benzyl-4-naphthalen-1-yl-2,4-dihydro-[1,2,4]triazole-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.