6-benzylsulfanyl-5-sulfanylidene-2H-1,2,4-triazin-3-one
TL;DR: 6-benzylsulfanyl-5-sulfanylidene-2H-1,2,4-triazin-3-one (CAS 23449-16-3) 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.
6-benzylsulfanyl-5-sulfanylidene-2H-1,2,4-triazin-3-one
Also Known As: starbld0024891, TimTec1_002036, 6-benzylsulfanyl-5-sulfanylidene-2H-1,2,4-triazin-3-one, BAS 00120853, 6-(benzylsulfanyl)-5-sulfanylidene-2,3,4,5-tetrahydro-1,2,4-triazin-3-one
| Molecular Formula | C10H9N3OS2 |
|---|---|
| Molecular Weight | 251.02 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 251.0187 |
| Heavy Atoms | 16 |
| Complexity | 324.0 |
Chemical Identifiers
| CAS Number | 23449-16-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CSC2=NNC(=O)NC2=S |
| InChIKey | WGILAAVIFOLFAQ-UHFFFAOYSA-N |
Product Overview
6-benzylsulfanyl-5-sulfanylidene-2H-1,2,4-triazin-3-one (CAS 23449-16-3), with molecular formula C10H9N3OS2 and molecular weight 251.02 g/mol. IUPAC: 6-benzylsulfanyl-5-sulfanylidene-2H-1,2,4-triazin-3-one.
Chemical Property Profile of 6-benzylsulfanyl-5-sulfanylidene-2H-1,2,4-triazin-3-one
Property Insights of 6-benzylsulfanyl-5-sulfanylidene-2H-1,2,4-triazin-3-one
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-benzylsulfanyl-5-sulfanylidene-2H-1,2,4-triazin-3-one. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-benzylsulfanyl-5-sulfanylidene-2H-1,2,4-triazin-3-one. Following Lipinski's Rule of Five, 6-benzylsulfanyl-5-sulfanylidene-2H-1,2,4-triazin-3-one has 2 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-sulfanylidene-2H-1,2,4-triazin-3-one?
The CAS number of 6-benzylsulfanyl-5-sulfanylidene-2H-1,2,4-triazin-3-one is 23449-16-3.
What is the molecular formula of 6-benzylsulfanyl-5-sulfanylidene-2H-1,2,4-triazin-3-one?
The molecular formula of 6-benzylsulfanyl-5-sulfanylidene-2H-1,2,4-triazin-3-one is C10H9N3OS2.
What is the molecular weight of 6-benzylsulfanyl-5-sulfanylidene-2H-1,2,4-triazin-3-one?
The molecular weight of 6-benzylsulfanyl-5-sulfanylidene-2H-1,2,4-triazin-3-one is 251.02 g/mol.
Where can I buy 6-benzylsulfanyl-5-sulfanylidene-2H-1,2,4-triazin-3-one?
You can request a quote for 6-benzylsulfanyl-5-sulfanylidene-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 6-benzylsulfanyl-5-sulfanylidene-2H-1,2,4-triazin-3-one?
Yes, KEHONG BIO provides custom synthesis services for 6-benzylsulfanyl-5-sulfanylidene-2H-1,2,4-triazin-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.