3-methylsulfanyl-4-phenyl-1H-1,2,4-triazol-5-one
TL;DR: 3-methylsulfanyl-4-phenyl-1H-1,2,4-triazol-5-one (CAS 7746-66-9) is a chemical compound with molecular formula C9H9N3OS and molecular weight 207.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylsulfanyl-4-phenyl-1H-1,2,4-triazol-5-one
Also Known As: 1H-Indole,4-nitro-2-phenyl, 5-(methylthio)-4-phenyl-2H-1,2,4-triazol-3(4H)-one, 3-methylsulfanyl-4-phenyl-1H-1,2,4-triazol-5-one, 3-(Methylthio)-4-phenyl-1H-1,2,4-triazol-5(4H)-one, AE-484/32880012
| Molecular Formula | C9H9N3OS |
|---|---|
| Molecular Weight | 207.05 g/mol |
| LogP | 1.2825 |
| Topological Polar Surface Area | 50.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 207.04663 |
| Heavy Atoms | 14 |
| Complexity | 474.30234 |
Chemical Identifiers
| CAS Number | 7746-66-9 |
|---|---|
| SMILES | CSC1=NNC(=O)N1C2=CC=CC=C2 |
Product Overview
3-methylsulfanyl-4-phenyl-1H-1,2,4-triazol-5-one (CAS 7746-66-9), with molecular formula C9H9N3OS and molecular weight 207.05 g/mol. IUPAC: 3-methylsulfanyl-4-phenyl-1H-1,2,4-triazol-5-one.
Chemical Property Profile of 3-methylsulfanyl-4-phenyl-1H-1,2,4-triazol-5-one
Property Insights of 3-methylsulfanyl-4-phenyl-1H-1,2,4-triazol-5-one
The XLogP value of 1.2825 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-methylsulfanyl-4-phenyl-1H-1,2,4-triazol-5-one. With a topological polar surface area (TPSA) of 50.68 Ų, 3-methylsulfanyl-4-phenyl-1H-1,2,4-triazol-5-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-methylsulfanyl-4-phenyl-1H-1,2,4-triazol-5-one 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-methylsulfanyl-4-phenyl-1H-1,2,4-triazol-5-one?
The CAS number of 3-methylsulfanyl-4-phenyl-1H-1,2,4-triazol-5-one is 7746-66-9.
What is the molecular formula of 3-methylsulfanyl-4-phenyl-1H-1,2,4-triazol-5-one?
The molecular formula of 3-methylsulfanyl-4-phenyl-1H-1,2,4-triazol-5-one is C9H9N3OS.
What is the molecular weight of 3-methylsulfanyl-4-phenyl-1H-1,2,4-triazol-5-one?
The molecular weight of 3-methylsulfanyl-4-phenyl-1H-1,2,4-triazol-5-one is 207.05 g/mol.
Where can I buy 3-methylsulfanyl-4-phenyl-1H-1,2,4-triazol-5-one?
You can request a quote for 3-methylsulfanyl-4-phenyl-1H-1,2,4-triazol-5-one 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-1H-1,2,4-triazol-5-one?
Yes, KEHONG BIO provides custom synthesis services for 3-methylsulfanyl-4-phenyl-1H-1,2,4-triazol-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.