3-(methylsulfanyl)-4-phenyl-4H-1,2,4-triazole
TL;DR: 3-(methylsulfanyl)-4-phenyl-4H-1,2,4-triazole (CAS 76457-73-3) is a chemical compound with molecular formula C9H9N3S and molecular weight 191.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylsulfanyl-4-phenyl-1,2,4-triazole
Also Known As: 3-(methylsulfanyl)-4-phenyl-4H-1,2,4-triazole, 3-methylsulfanyl-4-phenyl-1,2,4-triazole, 3-(Methylthio)-4-phenyl-4H-1,2,4-triazole, 3W-0832, 4H-1,2,4-Triazole, 3-(methylthio)-4-phenyl-
| Molecular Formula | C9H9N3S |
|---|---|
| Molecular Weight | 191.05 g/mol |
| LogP | 1.9892 |
| Topological Polar Surface Area | 30.71 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 191.05171 |
| Heavy Atoms | 13 |
| Complexity | 382.76816 |
Chemical Identifiers
| CAS Number | 76457-73-3 |
|---|---|
| SMILES | CSC1=NN=CN1C2=CC=CC=C2 |
Product Overview
3-(methylsulfanyl)-4-phenyl-4H-1,2,4-triazole (CAS 76457-73-3), with molecular formula C9H9N3S and molecular weight 191.05 g/mol. IUPAC: 3-methylsulfanyl-4-phenyl-1,2,4-triazole.
Chemical Property Profile of 3-(methylsulfanyl)-4-phenyl-4H-1,2,4-triazole
Property Insights of 3-(methylsulfanyl)-4-phenyl-4H-1,2,4-triazole
The XLogP value of 1.9892 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(methylsulfanyl)-4-phenyl-4H-1,2,4-triazole. With a topological polar surface area (TPSA) of 30.71 Ų, 3-(methylsulfanyl)-4-phenyl-4H-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(methylsulfanyl)-4-phenyl-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-(methylsulfanyl)-4-phenyl-4H-1,2,4-triazole?
The CAS number of 3-(methylsulfanyl)-4-phenyl-4H-1,2,4-triazole is 76457-73-3.
What is the molecular formula of 3-(methylsulfanyl)-4-phenyl-4H-1,2,4-triazole?
The molecular formula of 3-(methylsulfanyl)-4-phenyl-4H-1,2,4-triazole is C9H9N3S.
What is the molecular weight of 3-(methylsulfanyl)-4-phenyl-4H-1,2,4-triazole?
The molecular weight of 3-(methylsulfanyl)-4-phenyl-4H-1,2,4-triazole is 191.05 g/mol.
Where can I buy 3-(methylsulfanyl)-4-phenyl-4H-1,2,4-triazole?
You can request a quote for 3-(methylsulfanyl)-4-phenyl-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-(methylsulfanyl)-4-phenyl-4H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(methylsulfanyl)-4-phenyl-4H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.