3-((2-methylallyl)thio)-4,5-diphenyl-4H-1,2,4-triazole
TL;DR: 3-((2-methylallyl)thio)-4,5-diphenyl-4H-1,2,4-triazole (CAS 256407-77-9) is a chemical compound with molecular formula C18H17N3S and molecular weight 307.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-methylprop-2-enylsulfanyl)-4,5-diphenyl-1,2,4-triazole
Also Known As: 3-((2-methylallyl)thio)-4,5-diphenyl-4H-1,2,4-triazole, 3-(2-methylprop-2-enylsulfanyl)-4,5-diphenyl-1,2,4-triazole
| Molecular Formula | C18H17N3S |
|---|---|
| Molecular Weight | 307.11 g/mol |
| LogP | 4.6025 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 307.11432 |
| Heavy Atoms | 22 |
| Complexity | 763.5411 |
Chemical Identifiers
| CAS Number | 256407-77-9 |
|---|---|
| SMILES | CC(=C)CSC1=NN=C(N1C2=CC=CC=C2)C3=CC=CC=C3 |
Product Overview
3-((2-methylallyl)thio)-4,5-diphenyl-4H-1,2,4-triazole (CAS 256407-77-9), with molecular formula C18H17N3S and molecular weight 307.11 g/mol. IUPAC: 3-(2-methylprop-2-enylsulfanyl)-4,5-diphenyl-1,2,4-triazole.
Chemical Property Profile of 3-((2-methylallyl)thio)-4,5-diphenyl-4H-1,2,4-triazole
Property Insights of 3-((2-methylallyl)thio)-4,5-diphenyl-4H-1,2,4-triazole
The XLogP value of 4.6025 indicates that 3-((2-methylallyl)thio)-4,5-diphenyl-4H-1,2,4-triazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.71 Ų, 3-((2-methylallyl)thio)-4,5-diphenyl-4H-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-((2-methylallyl)thio)-4,5-diphenyl-4H-1,2,4-triazole has 0 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-((2-methylallyl)thio)-4,5-diphenyl-4H-1,2,4-triazole?
The CAS number of 3-((2-methylallyl)thio)-4,5-diphenyl-4H-1,2,4-triazole is 256407-77-9.
What is the molecular formula of 3-((2-methylallyl)thio)-4,5-diphenyl-4H-1,2,4-triazole?
The molecular formula of 3-((2-methylallyl)thio)-4,5-diphenyl-4H-1,2,4-triazole is C18H17N3S.
What is the molecular weight of 3-((2-methylallyl)thio)-4,5-diphenyl-4H-1,2,4-triazole?
The molecular weight of 3-((2-methylallyl)thio)-4,5-diphenyl-4H-1,2,4-triazole is 307.11 g/mol.
Where can I buy 3-((2-methylallyl)thio)-4,5-diphenyl-4H-1,2,4-triazole?
You can request a quote for 3-((2-methylallyl)thio)-4,5-diphenyl-4H-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-((2-methylallyl)thio)-4,5-diphenyl-4H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-((2-methylallyl)thio)-4,5-diphenyl-4H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.