![6-[2-(3-iodophenyl)ethenyl]-3-sulfanylidene-2H-1,2,4-triazin-5-one structure](/static/products/6983/69830-26-8.webp)
6-[2-(3-iodophenyl)ethenyl]-3-sulfanylidene-2H-1,2,4-triazin-5-one
TL;DR: 6-[2-(3-iodophenyl)ethenyl]-3-sulfanylidene-2H-1,2,4-triazin-5-one (CAS 69830-26-8) is a chemical compound with molecular formula C11H8IN3OS and molecular weight 356.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[2-(3-iodophenyl)ethenyl]-3-sulfanylidene-2H-1,2,4-triazin-5-one
Also Known As: 6-[(E)-2-(3-iodophenyl)ethenyl]-3-sulfanylidene-2H-1,2,4-tri, 6-[2-(3-iodophenyl)ethenyl]-3-sulfanylidene-2H-1,2,4-triazin-5-one
| Molecular Formula | C11H8IN3OS |
|---|---|
| Molecular Weight | 356.94 g/mol |
| LogP | 2.60249 |
| Topological Polar Surface Area | 61.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 356.94327 |
| Heavy Atoms | 17 |
| Complexity | 674.65704 |
Chemical Identifiers
| CAS Number | 69830-26-8 |
|---|---|
| SMILES | C1=CC(=CC(=C1)I)C=CC2=NNC(=S)NC2=O |
Product Overview
6-[2-(3-iodophenyl)ethenyl]-3-sulfanylidene-2H-1,2,4-triazin-5-one (CAS 69830-26-8), with molecular formula C11H8IN3OS and molecular weight 356.94 g/mol. IUPAC: 6-[2-(3-iodophenyl)ethenyl]-3-sulfanylidene-2H-1,2,4-triazin-5-one.
Chemical Property Profile of 6-[2-(3-iodophenyl)ethenyl]-3-sulfanylidene-2H-1,2,4-triazin-5-one
Property Insights of 6-[2-(3-iodophenyl)ethenyl]-3-sulfanylidene-2H-1,2,4-triazin-5-one
The XLogP value of 2.60249 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-[2-(3-iodophenyl)ethenyl]-3-sulfanylidene-2H-1,2,4-triazin-5-one. The TPSA of 61.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-[2-(3-iodophenyl)ethenyl]-3-sulfanylidene-2H-1,2,4-triazin-5-one. Following Lipinski's Rule of Five, 6-[2-(3-iodophenyl)ethenyl]-3-sulfanylidene-2H-1,2,4-triazin-5-one has 2 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 6-[2-(3-iodophenyl)ethenyl]-3-sulfanylidene-2H-1,2,4-triazin-5-one?
The CAS number of 6-[2-(3-iodophenyl)ethenyl]-3-sulfanylidene-2H-1,2,4-triazin-5-one is 69830-26-8.
What is the molecular formula of 6-[2-(3-iodophenyl)ethenyl]-3-sulfanylidene-2H-1,2,4-triazin-5-one?
The molecular formula of 6-[2-(3-iodophenyl)ethenyl]-3-sulfanylidene-2H-1,2,4-triazin-5-one is C11H8IN3OS.
What is the molecular weight of 6-[2-(3-iodophenyl)ethenyl]-3-sulfanylidene-2H-1,2,4-triazin-5-one?
The molecular weight of 6-[2-(3-iodophenyl)ethenyl]-3-sulfanylidene-2H-1,2,4-triazin-5-one is 356.94 g/mol.
Where can I buy 6-[2-(3-iodophenyl)ethenyl]-3-sulfanylidene-2H-1,2,4-triazin-5-one?
You can request a quote for 6-[2-(3-iodophenyl)ethenyl]-3-sulfanylidene-2H-1,2,4-triazin-5-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-[2-(3-iodophenyl)ethenyl]-3-sulfanylidene-2H-1,2,4-triazin-5-one?
Yes, KEHONG BIO provides custom synthesis services for 6-[2-(3-iodophenyl)ethenyl]-3-sulfanylidene-2H-1,2,4-triazin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.