6-(Benzylsulfanyl)-5-(methylsulfanyl)-1,2,4-triazin-3(2h)-one
TL;DR: 6-(Benzylsulfanyl)-5-(methylsulfanyl)-1,2,4-triazin-3(2h)-one (CAS 23449-17-4) is a chemical compound with molecular formula C11H11N3OS2 and molecular weight 265.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-benzylsulfanyl-5-methylsulfanyl-2H-1,2,4-triazin-3-one
Also Known As: BAS 00554717, 6-(benzylthio)-5-(methylthio)-1,2,4-triazin-3(2H)-one, 6-benzylsulfanyl-5-methylsulfanyl-2H-1,2,4-triazin-3-one, AB00076170-01, AE-848/32100062
| Molecular Formula | C11H11N3OS2 |
|---|---|
| Molecular Weight | 265.03 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 265.03436 |
| Heavy Atoms | 17 |
| Complexity | 349.0 |
Chemical Identifiers
| CAS Number | 23449-17-4 |
|---|---|
| SMILES | CSC1=NC(=O)NN=C1SCC2=CC=CC=C2 |
| InChIKey | YGSVYKRJZMLILZ-UHFFFAOYSA-N |
Product Overview
6-(Benzylsulfanyl)-5-(methylsulfanyl)-1,2,4-triazin-3(2h)-one (CAS 23449-17-4), with molecular formula C11H11N3OS2 and molecular weight 265.03 g/mol. IUPAC: 6-benzylsulfanyl-5-methylsulfanyl-2H-1,2,4-triazin-3-one.
Chemical Property Profile of 6-(Benzylsulfanyl)-5-(methylsulfanyl)-1,2,4-triazin-3(2h)-one
Property Insights of 6-(Benzylsulfanyl)-5-(methylsulfanyl)-1,2,4-triazin-3(2h)-one
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(Benzylsulfanyl)-5-(methylsulfanyl)-1,2,4-triazin-3(2h)-one. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(Benzylsulfanyl)-5-(methylsulfanyl)-1,2,4-triazin-3(2h)-one. Following Lipinski's Rule of Five, 6-(Benzylsulfanyl)-5-(methylsulfanyl)-1,2,4-triazin-3(2h)-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 6-(Benzylsulfanyl)-5-(methylsulfanyl)-1,2,4-triazin-3(2h)-one?
The CAS number of 6-(Benzylsulfanyl)-5-(methylsulfanyl)-1,2,4-triazin-3(2h)-one is 23449-17-4.
What is the molecular formula of 6-(Benzylsulfanyl)-5-(methylsulfanyl)-1,2,4-triazin-3(2h)-one?
The molecular formula of 6-(Benzylsulfanyl)-5-(methylsulfanyl)-1,2,4-triazin-3(2h)-one is C11H11N3OS2.
What is the molecular weight of 6-(Benzylsulfanyl)-5-(methylsulfanyl)-1,2,4-triazin-3(2h)-one?
The molecular weight of 6-(Benzylsulfanyl)-5-(methylsulfanyl)-1,2,4-triazin-3(2h)-one is 265.03 g/mol.
Where can I buy 6-(Benzylsulfanyl)-5-(methylsulfanyl)-1,2,4-triazin-3(2h)-one?
You can request a quote for 6-(Benzylsulfanyl)-5-(methylsulfanyl)-1,2,4-triazin-3(2h)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(Benzylsulfanyl)-5-(methylsulfanyl)-1,2,4-triazin-3(2h)-one?
Yes, KEHONG BIO provides custom synthesis services for 6-(Benzylsulfanyl)-5-(methylsulfanyl)-1,2,4-triazin-3(2h)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.