![8-(Benzylsulfanyl)[1,2,4]triazolo[4,3-d][1,2,4]triazin-5(6H)-one structure](/static/products/323/32331-08-1.png)
8-(Benzylsulfanyl)[1,2,4]triazolo[4,3-d][1,2,4]triazin-5(6H)-one
TL;DR: 8-(Benzylsulfanyl)[1,2,4]triazolo[4,3-d][1,2,4]triazin-5(6H)-one (CAS 32331-08-1) is a chemical compound with molecular formula C11H9N5OS and molecular weight 259.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-benzylsulfanyl-6H-[1,2,4]triazolo[4,3-d][1,2,4]triazin-5-one
Also Known As: 8-benzylsulfanyl-6H-[1,2,4]triazolo[4,3-d][1,2,4]triazin-5-one, 8-(Benzylsulfanyl)[1,2,4]triazolo[4,3-d][1,2,4]triazin-5(6H)-one
| Molecular Formula | C11H9N5OS |
|---|---|
| Molecular Weight | 259.05 g/mol |
| LogP | 1.1049 |
| Topological Polar Surface Area | 75.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 259.0528 |
| Heavy Atoms | 18 |
| Complexity | 720.8817 |
Chemical Identifiers
| CAS Number | 32331-08-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=NNC(=O)N3C2=NN=C3 |
Product Overview
8-(Benzylsulfanyl)[1,2,4]triazolo[4,3-d][1,2,4]triazin-5(6H)-one (CAS 32331-08-1), with molecular formula C11H9N5OS and molecular weight 259.05 g/mol. IUPAC: 8-benzylsulfanyl-6H-[1,2,4]triazolo[4,3-d][1,2,4]triazin-5-one.
Chemical Property Profile of 8-(Benzylsulfanyl)[1,2,4]triazolo[4,3-d][1,2,4]triazin-5(6H)-one
Property Insights of 8-(Benzylsulfanyl)[1,2,4]triazolo[4,3-d][1,2,4]triazin-5(6H)-one
The XLogP value of 1.1049 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(Benzylsulfanyl)[1,2,4]triazolo[4,3-d][1,2,4]triazin-5(6H)-one. The TPSA of 75.94 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(Benzylsulfanyl)[1,2,4]triazolo[4,3-d][1,2,4]triazin-5(6H)-one. Following Lipinski's Rule of Five, 8-(Benzylsulfanyl)[1,2,4]triazolo[4,3-d][1,2,4]triazin-5(6H)-one has 1 hydrogen bond donor(s) and 5 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 8-(Benzylsulfanyl)[1,2,4]triazolo[4,3-d][1,2,4]triazin-5(6H)-one?
The CAS number of 8-(Benzylsulfanyl)[1,2,4]triazolo[4,3-d][1,2,4]triazin-5(6H)-one is 32331-08-1.
What is the molecular formula of 8-(Benzylsulfanyl)[1,2,4]triazolo[4,3-d][1,2,4]triazin-5(6H)-one?
The molecular formula of 8-(Benzylsulfanyl)[1,2,4]triazolo[4,3-d][1,2,4]triazin-5(6H)-one is C11H9N5OS.
What is the molecular weight of 8-(Benzylsulfanyl)[1,2,4]triazolo[4,3-d][1,2,4]triazin-5(6H)-one?
The molecular weight of 8-(Benzylsulfanyl)[1,2,4]triazolo[4,3-d][1,2,4]triazin-5(6H)-one is 259.05 g/mol.
Where can I buy 8-(Benzylsulfanyl)[1,2,4]triazolo[4,3-d][1,2,4]triazin-5(6H)-one?
You can request a quote for 8-(Benzylsulfanyl)[1,2,4]triazolo[4,3-d][1,2,4]triazin-5(6H)-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-(Benzylsulfanyl)[1,2,4]triazolo[4,3-d][1,2,4]triazin-5(6H)-one?
Yes, KEHONG BIO provides custom synthesis services for 8-(Benzylsulfanyl)[1,2,4]triazolo[4,3-d][1,2,4]triazin-5(6H)-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.