4-(oxolan-2-ylmethyl)-3-phenyl-1H-1,2,4-triazole-5-thione
TL;DR: 4-(oxolan-2-ylmethyl)-3-phenyl-1H-1,2,4-triazole-5-thione (CAS 835891-00-4) is a chemical compound with molecular formula C13H15N3OS and molecular weight 261.0936 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(oxolan-2-ylmethyl)-3-phenyl-1H-1,2,4-triazole-5-thione
Also Known As: 4-(oxolan-2-ylmethyl)-3-phenyl-1H-1,2,4-triazole-5-thione, AO-365/43401581, 5-phenyl-4-(tetrahydro-2-furanylmethyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione, 3-phenyl-4-(tetrahydrofurfuryl)-1H-1,2,4-triazole-5-thione, 4-(2-oxolanylmethyl)-3-phenyl-1H-1,2,4-triazole-5-thione
Technical Specifications
| Molecular Formula | C13H15N3OS |
| Molecular Weight | 261.0936 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 69.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 261.0936 Da |
| Heavy Atoms | 18 |
| Complexity | 352.0 |
| SMILES | C1CC(OC1)CN2C(=NNC2=S)C3=CC=CC=C3 |
| InChIKey | YPGJALXQCAQBNJ-UHFFFAOYSA-N |
Chemical Property Profile of 4-(oxolan-2-ylmethyl)-3-phenyl-1H-1,2,4-triazole-5-thione
Property Insights of 4-(oxolan-2-ylmethyl)-3-phenyl-1H-1,2,4-triazole-5-thione
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(oxolan-2-ylmethyl)-3-phenyl-1H-1,2,4-triazole-5-thione. The TPSA of 69.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(oxolan-2-ylmethyl)-3-phenyl-1H-1,2,4-triazole-5-thione. Following Lipinski's Rule of Five, 4-(oxolan-2-ylmethyl)-3-phenyl-1H-1,2,4-triazole-5-thione has 1 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 4-(oxolan-2-ylmethyl)-3-phenyl-1H-1,2,4-triazole-5-thione?
The CAS number of 4-(oxolan-2-ylmethyl)-3-phenyl-1H-1,2,4-triazole-5-thione is 835891-00-4.
What is the molecular formula of 4-(oxolan-2-ylmethyl)-3-phenyl-1H-1,2,4-triazole-5-thione?
The molecular formula of 4-(oxolan-2-ylmethyl)-3-phenyl-1H-1,2,4-triazole-5-thione is C13H15N3OS.
What is the molecular weight of 4-(oxolan-2-ylmethyl)-3-phenyl-1H-1,2,4-triazole-5-thione?
The molecular weight of 4-(oxolan-2-ylmethyl)-3-phenyl-1H-1,2,4-triazole-5-thione is 261.0936 g/mol.
Where can I buy 4-(oxolan-2-ylmethyl)-3-phenyl-1H-1,2,4-triazole-5-thione?
You can request a quote for 4-(oxolan-2-ylmethyl)-3-phenyl-1H-1,2,4-triazole-5-thione directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(oxolan-2-ylmethyl)-3-phenyl-1H-1,2,4-triazole-5-thione?
Yes, CoreyChem provides custom synthesis services for 4-(oxolan-2-ylmethyl)-3-phenyl-1H-1,2,4-triazole-5-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.