5-Benzyl-1-(2-methylphenyl)-1,3,5-triazinane-2-thione
TL;DR: 5-Benzyl-1-(2-methylphenyl)-1,3,5-triazinane-2-thione (CAS 678157-33-0) is a chemical compound with molecular formula C17H19N3S and molecular weight 297.12997 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-benzyl-1-(2-methylphenyl)-1,3,5-triazinane-2-thione
Also Known As: 5-benzyl-1-(2-methylphenyl)-1,3,5-triazinane-2-thione, 5-benzyl-1-(o-tolyl)-1,3,5-triazinane-2-thione
Technical Specifications
| Molecular Formula | C17H19N3S |
| Molecular Weight | 297.12997 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 50.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 297.12997 Da |
| Heavy Atoms | 21 |
| Complexity | 354.0 |
| SMILES | CC1=CC=CC=C1N2CN(CNC2=S)CC3=CC=CC=C3 |
| InChIKey | QFGXVFACNPPPHJ-UHFFFAOYSA-N |
Chemical Property Profile of 5-Benzyl-1-(2-methylphenyl)-1,3,5-triazinane-2-thione
Property Insights of 5-Benzyl-1-(2-methylphenyl)-1,3,5-triazinane-2-thione
The XLogP value of 3.6 indicates that 5-Benzyl-1-(2-methylphenyl)-1,3,5-triazinane-2-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.6 Ų, 5-Benzyl-1-(2-methylphenyl)-1,3,5-triazinane-2-thione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Benzyl-1-(2-methylphenyl)-1,3,5-triazinane-2-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-1-(2-methylphenyl)-1,3,5-triazinane-2-thione?
The CAS number of 5-Benzyl-1-(2-methylphenyl)-1,3,5-triazinane-2-thione is 678157-33-0.
What is the molecular formula of 5-Benzyl-1-(2-methylphenyl)-1,3,5-triazinane-2-thione?
The molecular formula of 5-Benzyl-1-(2-methylphenyl)-1,3,5-triazinane-2-thione is C17H19N3S.
What is the molecular weight of 5-Benzyl-1-(2-methylphenyl)-1,3,5-triazinane-2-thione?
The molecular weight of 5-Benzyl-1-(2-methylphenyl)-1,3,5-triazinane-2-thione is 297.12997 g/mol.
Where can I buy 5-Benzyl-1-(2-methylphenyl)-1,3,5-triazinane-2-thione?
You can request a quote for 5-Benzyl-1-(2-methylphenyl)-1,3,5-triazinane-2-thione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Benzyl-1-(2-methylphenyl)-1,3,5-triazinane-2-thione?
Yes, CoreyChem provides custom synthesis services for 5-Benzyl-1-(2-methylphenyl)-1,3,5-triazinane-2-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.