3-(Heptylthio)-1H-1,2,4-triazole
TL;DR: 3-(Heptylthio)-1H-1,2,4-triazole (CAS 74682-50-1) is a chemical compound with molecular formula C9H17N3S and molecular weight 199.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-heptylsulfanyl-1H-1,2,4-triazole
Also Known As: 3-(Heptylthio)-1H-1,2,4-triazole, EINECS 277-966-7, 3-(Heptylthio)-1,2,4-triazole, 5-heptylsulfanyl-1H-1,2,4-triazole, 3- -1H-1,2,4-triazole
| Molecular Formula | C9H17N3S |
|---|---|
| Molecular Weight | 199.11 g/mol |
| LogP | 2.8672 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 199.11432 |
| Heavy Atoms | 13 |
| Complexity | 198.63455 |
Chemical Identifiers
| CAS Number | 74682-50-1 |
|---|---|
| SMILES | CCCCCCCSC1=NC=NN1 |
Product Overview
3-(Heptylthio)-1H-1,2,4-triazole (CAS 74682-50-1), with molecular formula C9H17N3S and molecular weight 199.11 g/mol. IUPAC: 5-heptylsulfanyl-1H-1,2,4-triazole.
Chemical Property Profile of 3-(Heptylthio)-1H-1,2,4-triazole
Property Insights of 3-(Heptylthio)-1H-1,2,4-triazole
The XLogP value of 2.8672 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Heptylthio)-1H-1,2,4-triazole. With a topological polar surface area (TPSA) of 41.57 Ų, 3-(Heptylthio)-1H-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Heptylthio)-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 3-(Heptylthio)-1H-1,2,4-triazole?
The CAS number of 3-(Heptylthio)-1H-1,2,4-triazole is 74682-50-1.
What is the molecular formula of 3-(Heptylthio)-1H-1,2,4-triazole?
The molecular formula of 3-(Heptylthio)-1H-1,2,4-triazole is C9H17N3S.
What is the molecular weight of 3-(Heptylthio)-1H-1,2,4-triazole?
The molecular weight of 3-(Heptylthio)-1H-1,2,4-triazole is 199.11 g/mol.
Where can I buy 3-(Heptylthio)-1H-1,2,4-triazole?
You can request a quote for 3-(Heptylthio)-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 3-(Heptylthio)-1H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(Heptylthio)-1H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.