5-(Octylthio)-1H-1,2,4-triazole
TL;DR: 5-(Octylthio)-1H-1,2,4-triazole (CAS 82117-19-9) is a chemical compound with molecular formula C10H19N3S and molecular weight 213.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-octylsulfanyl-1H-1,2,4-triazole
Also Known As: 3-(octylthio)-4h-1,2,4-triazole, 1H-1,2,4-Triazole,5-(octylthio)-, 5-octylsulfanyl-1H-1,2,4-triazole, 5-(Octylthio)-1H-1,2,4-triazole, 5-octylthio-1H-1,2,4-triazole
| Molecular Formula | C10H19N3S |
|---|---|
| Molecular Weight | 213.13 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 66.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 213.12997 |
| Heavy Atoms | 14 |
| Complexity | 133.0 |
Chemical Identifiers
| CAS Number | 82117-19-9 |
|---|---|
| SMILES | CCCCCCCCSC1=NC=NN1 |
| InChIKey | KFBKNAOPZZGVQT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-(Octylthio)-1H-1,2,4-triazole (CAS 82117-19-9), with molecular formula C10H19N3S and molecular weight 213.13 g/mol. IUPAC: 5-octylsulfanyl-1H-1,2,4-triazole.
Chemical Property Profile of 5-(Octylthio)-1H-1,2,4-triazole
Property Insights of 5-(Octylthio)-1H-1,2,4-triazole
The XLogP value of 4.2 indicates that 5-(Octylthio)-1H-1,2,4-triazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Octylthio)-1H-1,2,4-triazole. Following Lipinski's Rule of Five, 5-(Octylthio)-1H-1,2,4-triazole 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
Frequently Asked Questions
What is the CAS number of 5-(Octylthio)-1H-1,2,4-triazole?
The CAS number of 5-(Octylthio)-1H-1,2,4-triazole is 82117-19-9.
What is the molecular formula of 5-(Octylthio)-1H-1,2,4-triazole?
The molecular formula of 5-(Octylthio)-1H-1,2,4-triazole is C10H19N3S.
What is the molecular weight of 5-(Octylthio)-1H-1,2,4-triazole?
The molecular weight of 5-(Octylthio)-1H-1,2,4-triazole is 213.13 g/mol.
Where can I buy 5-(Octylthio)-1H-1,2,4-triazole?
You can request a quote for 5-(Octylthio)-1H-1,2,4-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Octylthio)-1H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 5-(Octylthio)-1H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.