5-methylsulfanyl-6-phenylsulfanyl-2H-1,2,4-triazin-3-one
TL;DR: 5-methylsulfanyl-6-phenylsulfanyl-2H-1,2,4-triazin-3-one (CAS 3256-26-6) is a chemical compound with molecular formula C10H9N3OS2 and molecular weight 251.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methylsulfanyl-6-phenylsulfanyl-2H-1,2,4-triazin-3-one
Also Known As: 5-methylsulfanyl-6-phenylsulfanyl-2H-1,2,4-triazin-3-one, 5-(methylsulfanyl)-6-(phenylsulfanyl)-1,2,4-triazin-3(2h)-one, 5-(Methylthio)-6-(phenylthio)-1,2,4-triazin-3(2H)-one, 5-methylsulfanyl-6-phenylsulfanyl-2H-[1,2,4]triazin-3-one
| Molecular Formula | C10H9N3OS2 |
|---|---|
| Molecular Weight | 251.02 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 251.0187 |
| Heavy Atoms | 16 |
| Complexity | 335.0 |
Chemical Identifiers
| CAS Number | 3256-26-6 |
|---|---|
| SMILES | CSC1=NC(=O)NN=C1SC2=CC=CC=C2 |
| InChIKey | VLCWDFHTUYYMKT-UHFFFAOYSA-N |
Product Overview
5-methylsulfanyl-6-phenylsulfanyl-2H-1,2,4-triazin-3-one (CAS 3256-26-6), with molecular formula C10H9N3OS2 and molecular weight 251.02 g/mol. IUPAC: 5-methylsulfanyl-6-phenylsulfanyl-2H-1,2,4-triazin-3-one.
Chemical Property Profile of 5-methylsulfanyl-6-phenylsulfanyl-2H-1,2,4-triazin-3-one
Property Insights of 5-methylsulfanyl-6-phenylsulfanyl-2H-1,2,4-triazin-3-one
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-methylsulfanyl-6-phenylsulfanyl-2H-1,2,4-triazin-3-one. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-methylsulfanyl-6-phenylsulfanyl-2H-1,2,4-triazin-3-one. Following Lipinski's Rule of Five, 5-methylsulfanyl-6-phenylsulfanyl-2H-1,2,4-triazin-3-one 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 5-methylsulfanyl-6-phenylsulfanyl-2H-1,2,4-triazin-3-one?
The CAS number of 5-methylsulfanyl-6-phenylsulfanyl-2H-1,2,4-triazin-3-one is 3256-26-6.
What is the molecular formula of 5-methylsulfanyl-6-phenylsulfanyl-2H-1,2,4-triazin-3-one?
The molecular formula of 5-methylsulfanyl-6-phenylsulfanyl-2H-1,2,4-triazin-3-one is C10H9N3OS2.
What is the molecular weight of 5-methylsulfanyl-6-phenylsulfanyl-2H-1,2,4-triazin-3-one?
The molecular weight of 5-methylsulfanyl-6-phenylsulfanyl-2H-1,2,4-triazin-3-one is 251.02 g/mol.
Where can I buy 5-methylsulfanyl-6-phenylsulfanyl-2H-1,2,4-triazin-3-one?
You can request a quote for 5-methylsulfanyl-6-phenylsulfanyl-2H-1,2,4-triazin-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-methylsulfanyl-6-phenylsulfanyl-2H-1,2,4-triazin-3-one?
Yes, KEHONG BIO provides custom synthesis services for 5-methylsulfanyl-6-phenylsulfanyl-2H-1,2,4-triazin-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.