6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-sulfanylidene-2,3,4,5-tetrahydro-1,2,4-triazin-5-one
TL;DR: 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-sulfanylidene-2,3,4,5-tetrahydro-1,2,4-triazin-5-one (CAS 874754-24-2) is a chemical compound with molecular formula C11H9N3O3S and molecular weight 263.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-sulfanylidene-2H-1,2,4-triazin-5-one
Also Known As: 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-sulfanylidene-2,3,4,5-tetrahydro-1,2,4-triazin-5-one, 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-thioxo-3,4-dihydro-1,2,4-triazin-5(2H)-one, 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-sulfanylidene-2H-1,2,4-triazin-5-one, 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-sulfanyl-4,5-dihydro-1,2,4-triazin-5-one, 991-680-6
| Molecular Formula | C11H9N3O3S |
|---|---|
| Molecular Weight | 263.04 g/mol |
| LogP | 1.26569 |
| Topological Polar Surface Area | 80.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 263.03647 |
| Heavy Atoms | 18 |
| Complexity | 707.165 |
Chemical Identifiers
| CAS Number | 874754-24-2 |
|---|---|
| SMILES | C1COC2=C(O1)C=CC(=C2)C3=NNC(=S)NC3=O |
Product Overview
6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-sulfanylidene-2,3,4,5-tetrahydro-1,2,4-triazin-5-one (CAS 874754-24-2), with molecular formula C11H9N3O3S and molecular weight 263.04 g/mol. IUPAC: 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-sulfanylidene-2H-1,2,4-triazin-5-one.
Chemical Property Profile of 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-sulfanylidene-2,3,4,5-tetrahydro-1,2,4-triazin-5-one
Property Insights of 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-sulfanylidene-2,3,4,5-tetrahydro-1,2,4-triazin-5-one
The XLogP value of 1.26569 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-sulfanylidene-2,3,4,5-tetrahydro-1,2,4-triazin-5-one. The TPSA of 80.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-sulfanylidene-2,3,4,5-tetrahydro-1,2,4-triazin-5-one. Following Lipinski's Rule of Five, 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-sulfanylidene-2,3,4,5-tetrahydro-1,2,4-triazin-5-one has 2 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 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-sulfanylidene-2,3,4,5-tetrahydro-1,2,4-triazin-5-one?
The CAS number of 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-sulfanylidene-2,3,4,5-tetrahydro-1,2,4-triazin-5-one is 874754-24-2.
What is the molecular formula of 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-sulfanylidene-2,3,4,5-tetrahydro-1,2,4-triazin-5-one?
The molecular formula of 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-sulfanylidene-2,3,4,5-tetrahydro-1,2,4-triazin-5-one is C11H9N3O3S.
What is the molecular weight of 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-sulfanylidene-2,3,4,5-tetrahydro-1,2,4-triazin-5-one?
The molecular weight of 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-sulfanylidene-2,3,4,5-tetrahydro-1,2,4-triazin-5-one is 263.04 g/mol.
Where can I buy 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-sulfanylidene-2,3,4,5-tetrahydro-1,2,4-triazin-5-one?
You can request a quote for 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-sulfanylidene-2,3,4,5-tetrahydro-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-dihydro-1,4-benzodioxin-6-yl)-3-sulfanylidene-2,3,4,5-tetrahydro-1,2,4-triazin-5-one?
Yes, KEHONG BIO provides custom synthesis services for 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-sulfanylidene-2,3,4,5-tetrahydro-1,2,4-triazin-5-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.