5-Octyl-1,2-dihydro-1,2,4-triazole-3-thione
TL;DR: 5-Octyl-1,2-dihydro-1,2,4-triazole-3-thione (CAS 147778-18-5) is a chemical compound with molecular formula C10H19N3S and molecular weight 213.12997 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-octyl-1,2-dihydro-1,2,4-triazole-3-thione
Also Known As: 5-octyl-1,2-dihydro-1,2,4-triazole-3-thione, 5-octyl-1H-1,2,4-triazol-3-yl hydrosulfide, AL-281/40633772
Technical Specifications
| Molecular Formula | C10H19N3S |
| Molecular Weight | 213.12997 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 68.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 7 |
| Exact Mass | 213.12997 Da |
| Heavy Atoms | 14 |
| Complexity | 213.0 |
| SMILES | CCCCCCCCC1=NC(=S)NN1 |
| InChIKey | OTAAOINHVFMIDG-UHFFFAOYSA-N |
Chemical Property Profile of 5-Octyl-1,2-dihydro-1,2,4-triazole-3-thione
Property Insights of 5-Octyl-1,2-dihydro-1,2,4-triazole-3-thione
The XLogP value of 3.3 indicates that 5-Octyl-1,2-dihydro-1,2,4-triazole-3-thione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Octyl-1,2-dihydro-1,2,4-triazole-3-thione. Following Lipinski's Rule of Five, 5-Octyl-1,2-dihydro-1,2,4-triazole-3-thione has 2 hydrogen bond donor(s) and 1 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-Octyl-1,2-dihydro-1,2,4-triazole-3-thione?
The CAS number of 5-Octyl-1,2-dihydro-1,2,4-triazole-3-thione is 147778-18-5.
What is the molecular formula of 5-Octyl-1,2-dihydro-1,2,4-triazole-3-thione?
The molecular formula of 5-Octyl-1,2-dihydro-1,2,4-triazole-3-thione is C10H19N3S.
What is the molecular weight of 5-Octyl-1,2-dihydro-1,2,4-triazole-3-thione?
The molecular weight of 5-Octyl-1,2-dihydro-1,2,4-triazole-3-thione is 213.12997 g/mol.
Where can I buy 5-Octyl-1,2-dihydro-1,2,4-triazole-3-thione?
You can request a quote for 5-Octyl-1,2-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-Octyl-1,2-dihydro-1,2,4-triazole-3-thione?
Yes, CoreyChem provides custom synthesis services for 5-Octyl-1,2-dihydro-1,2,4-triazole-3-thione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.