![5-Octylsulfanyl-2H-[1,2,4]triazol-3-ylamine structure](/static/products/100/100599-73-3.webp)
5-Octylsulfanyl-2H-[1,2,4]triazol-3-ylamine
TL;DR: 5-Octylsulfanyl-2H-[1,2,4]triazol-3-ylamine (CAS 100599-73-3) is a chemical compound with molecular formula C10H20N4S and molecular weight 228.14087 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-octylsulfanyl-1H-1,2,4-triazol-5-amine
Also Known As: 5-Octylsulfanyl-2H-[1,2,4]triazol-3-ylamine, BAS 00671139, 3-octylthio-5-amino-2H-1,2,4-triazole, 3-(octylthio)-1H-1,2,4-triazol-5-amine, 3-octylsulfanyl-1H-1,2,4-triazol-5-amine
Technical Specifications
| Molecular Formula | C10H20N4S |
| Molecular Weight | 228.14087 g/mol |
| XLogP | 3.9 |
| Topological Polar Surface Area (TPSA) | 92.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 228.14087 Da |
| Heavy Atoms | 15 |
| Complexity | 156.0 |
| SMILES | CCCCCCCCSC1=NNC(=N1)N |
| InChIKey | ZENVYDNEKHBMPM-UHFFFAOYSA-N |
Chemical Property Profile of 5-Octylsulfanyl-2H-[1,2,4]triazol-3-ylamine
Property Insights of 5-Octylsulfanyl-2H-[1,2,4]triazol-3-ylamine
The XLogP value of 3.9 indicates that 5-Octylsulfanyl-2H-[1,2,4]triazol-3-ylamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Octylsulfanyl-2H-[1,2,4]triazol-3-ylamine. Following Lipinski's Rule of Five, 5-Octylsulfanyl-2H-[1,2,4]triazol-3-ylamine has 2 hydrogen bond donor(s) and 4 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-Octylsulfanyl-2H-[1,2,4]triazol-3-ylamine?
The CAS number of 5-Octylsulfanyl-2H-[1,2,4]triazol-3-ylamine is 100599-73-3.
What is the molecular formula of 5-Octylsulfanyl-2H-[1,2,4]triazol-3-ylamine?
The molecular formula of 5-Octylsulfanyl-2H-[1,2,4]triazol-3-ylamine is C10H20N4S.
What is the molecular weight of 5-Octylsulfanyl-2H-[1,2,4]triazol-3-ylamine?
The molecular weight of 5-Octylsulfanyl-2H-[1,2,4]triazol-3-ylamine is 228.14087 g/mol.
Where can I buy 5-Octylsulfanyl-2H-[1,2,4]triazol-3-ylamine?
You can request a quote for 5-Octylsulfanyl-2H-[1,2,4]triazol-3-ylamine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Octylsulfanyl-2H-[1,2,4]triazol-3-ylamine?
Yes, CoreyChem provides custom synthesis services for 5-Octylsulfanyl-2H-[1,2,4]triazol-3-ylamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.