3-Hexylthio-1,2,4-triazole
TL;DR: 3-Hexylthio-1,2,4-triazole (CAS 74682-60-3) is a chemical compound with molecular formula C8H15N3S and molecular weight 185.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-hexylsulfanyl-1H-1,2,4-triazole
Also Known As: 3-n-Hexylthio-1,2,4-triazole, 3-(Hexylthio)-1H-1,2,4-triazole, 3-HEXYLTHIO-1,2,4-TRIAZOLE, 5-hexylsulfanyl-1H-1,2,4-triazole, EINECS 277-967-2
| Molecular Formula | C8H15N3S |
|---|---|
| Molecular Weight | 185.10 g/mol |
| LogP | 2.4771 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 185.09866 |
| Heavy Atoms | 12 |
| Complexity | 186.19286 |
Chemical Identifiers
| CAS Number | 74682-60-3 |
|---|---|
| SMILES | CCCCCCSC1=NC=NN1 |
Product Overview
3-Hexylthio-1,2,4-triazole (CAS 74682-60-3), with molecular formula C8H15N3S and molecular weight 185.10 g/mol. IUPAC: 5-hexylsulfanyl-1H-1,2,4-triazole.
Chemical Property Profile of 3-Hexylthio-1,2,4-triazole
Property Insights of 3-Hexylthio-1,2,4-triazole
The XLogP value of 2.4771 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Hexylthio-1,2,4-triazole. With a topological polar surface area (TPSA) of 41.57 Ų, 3-Hexylthio-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Hexylthio-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 3-Hexylthio-1,2,4-triazole?
The CAS number of 3-Hexylthio-1,2,4-triazole is 74682-60-3.
What is the molecular formula of 3-Hexylthio-1,2,4-triazole?
The molecular formula of 3-Hexylthio-1,2,4-triazole is C8H15N3S.
What is the molecular weight of 3-Hexylthio-1,2,4-triazole?
The molecular weight of 3-Hexylthio-1,2,4-triazole is 185.10 g/mol.
Where can I buy 3-Hexylthio-1,2,4-triazole?
You can request a quote for 3-Hexylthio-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 3-Hexylthio-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-Hexylthio-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.