5-phenyl-4-(2-phenylethyl)-4H-1,2,4-triazole-3-thiol
TL;DR: 5-phenyl-4-(2-phenylethyl)-4H-1,2,4-triazole-3-thiol (CAS 121112-24-1) is a chemical compound with molecular formula C16H15N3S and molecular weight 281.09866 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-phenyl-4-(2-phenylethyl)-1H-1,2,4-triazole-5-thione
Also Known As: 4-phenethyl-3-phenyl-1H-1,2,4-triazole-5-thione, 5-phenyl-4-(2-phenylethyl)-4H-1,2,4-triazole-3-thiol, 5-phenyl-4-(2-phenylethyl)-1,2,4-triazole-3-thiol, 3-phenyl-4-(2-phenylethyl)-1H-1,2,4-triazole-5-thione
Technical Specifications
| Molecular Formula | C16H15N3S |
| Molecular Weight | 281.09866 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 59.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 281.09866 Da |
| Heavy Atoms | 20 |
| Complexity | 368.0 |
| SMILES | C1=CC=C(C=C1)CCN2C(=NNC2=S)C3=CC=CC=C3 |
| InChIKey | SMLZDESFCWUXHH-UHFFFAOYSA-N |
Chemical Property Profile of 5-phenyl-4-(2-phenylethyl)-4H-1,2,4-triazole-3-thiol
Property Insights of 5-phenyl-4-(2-phenylethyl)-4H-1,2,4-triazole-3-thiol
The XLogP value of 3.6 indicates that 5-phenyl-4-(2-phenylethyl)-4H-1,2,4-triazole-3-thiol 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-phenyl-4-(2-phenylethyl)-4H-1,2,4-triazole-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-phenyl-4-(2-phenylethyl)-4H-1,2,4-triazole-3-thiol 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-phenyl-4-(2-phenylethyl)-4H-1,2,4-triazole-3-thiol?
The CAS number of 5-phenyl-4-(2-phenylethyl)-4H-1,2,4-triazole-3-thiol is 121112-24-1.
What is the molecular formula of 5-phenyl-4-(2-phenylethyl)-4H-1,2,4-triazole-3-thiol?
The molecular formula of 5-phenyl-4-(2-phenylethyl)-4H-1,2,4-triazole-3-thiol is C16H15N3S.
What is the molecular weight of 5-phenyl-4-(2-phenylethyl)-4H-1,2,4-triazole-3-thiol?
The molecular weight of 5-phenyl-4-(2-phenylethyl)-4H-1,2,4-triazole-3-thiol is 281.09866 g/mol.
Where can I buy 5-phenyl-4-(2-phenylethyl)-4H-1,2,4-triazole-3-thiol?
You can request a quote for 5-phenyl-4-(2-phenylethyl)-4H-1,2,4-triazole-3-thiol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-phenyl-4-(2-phenylethyl)-4H-1,2,4-triazole-3-thiol?
Yes, CoreyChem provides custom synthesis services for 5-phenyl-4-(2-phenylethyl)-4H-1,2,4-triazole-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.