3-(allylthio)-5-(4-methoxyphenyl)-1H-1,2,4-triazole
TL;DR: 3-(allylthio)-5-(4-methoxyphenyl)-1H-1,2,4-triazole (CAS 708286-93-5) is a chemical compound with molecular formula C12H13N3OS and molecular weight 247.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-methoxyphenyl)-3-prop-2-enylsulfanyl-1H-1,2,4-triazole
Also Known As: 3-(allylthio)-5-(4-methoxyphenyl)-1H-1,2,4-triazole, 3-(allylthio)-5-(4-methoxyphenyl)-4H-1,2,4-triazole, 5-(4-methoxyphenyl)-3-prop-2-enylsulfanyl-1H-1,2,4-triazole, 5-(4-methoxyphenyl)-3-(prop-2-enylthio)-1H-1,2,4-triazole
| Molecular Formula | C12H13N3OS |
|---|---|
| Molecular Weight | 247.08 g/mol |
| LogP | 2.7584 |
| Topological Polar Surface Area | 50.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 247.07793 |
| Heavy Atoms | 17 |
| Complexity | 492.7068 |
Chemical Identifiers
| CAS Number | 708286-93-5 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=NC(=NN2)SCC=C |
Product Overview
3-(allylthio)-5-(4-methoxyphenyl)-1H-1,2,4-triazole (CAS 708286-93-5), with molecular formula C12H13N3OS and molecular weight 247.08 g/mol. IUPAC: 5-(4-methoxyphenyl)-3-prop-2-enylsulfanyl-1H-1,2,4-triazole.
Chemical Property Profile of 3-(allylthio)-5-(4-methoxyphenyl)-1H-1,2,4-triazole
Property Insights of 3-(allylthio)-5-(4-methoxyphenyl)-1H-1,2,4-triazole
The XLogP value of 2.7584 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(allylthio)-5-(4-methoxyphenyl)-1H-1,2,4-triazole. With a topological polar surface area (TPSA) of 50.8 Ų, 3-(allylthio)-5-(4-methoxyphenyl)-1H-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(allylthio)-5-(4-methoxyphenyl)-1H-1,2,4-triazole has 1 hydrogen bond donor(s) and 4 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-(allylthio)-5-(4-methoxyphenyl)-1H-1,2,4-triazole?
The CAS number of 3-(allylthio)-5-(4-methoxyphenyl)-1H-1,2,4-triazole is 708286-93-5.
What is the molecular formula of 3-(allylthio)-5-(4-methoxyphenyl)-1H-1,2,4-triazole?
The molecular formula of 3-(allylthio)-5-(4-methoxyphenyl)-1H-1,2,4-triazole is C12H13N3OS.
What is the molecular weight of 3-(allylthio)-5-(4-methoxyphenyl)-1H-1,2,4-triazole?
The molecular weight of 3-(allylthio)-5-(4-methoxyphenyl)-1H-1,2,4-triazole is 247.08 g/mol.
Where can I buy 3-(allylthio)-5-(4-methoxyphenyl)-1H-1,2,4-triazole?
You can request a quote for 3-(allylthio)-5-(4-methoxyphenyl)-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-(allylthio)-5-(4-methoxyphenyl)-1H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(allylthio)-5-(4-methoxyphenyl)-1H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.