![6-[(E)-3-oxooct-1-enyl]sulfanyl-2H-1,2,4-triazine-3,5-dione structure](/static/products/800/80037-03-2.png)
6-[(E)-3-oxooct-1-enyl]sulfanyl-2H-1,2,4-triazine-3,5-dione
TL;DR: 6-[(E)-3-oxooct-1-enyl]sulfanyl-2H-1,2,4-triazine-3,5-dione (CAS 80037-03-2) is a chemical compound with molecular formula C11H15N3O3S and molecular weight 269.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[(E)-3-oxooct-1-enyl]sulfanyl-2H-1,2,4-triazine-3,5-dione
Also Known As: 6-[(E)-3-oxooct-1-enyl]sulfanyl-2H-1,2,4-triazine-3,5-dione, 6-{[(1E)-3-Oxooct-1-en-1-yl]sulfanyl}-1,2,4-triazine-3,5(2H,4H)-dione
| Molecular Formula | C11H15N3O3S |
|---|---|
| Molecular Weight | 269.08 g/mol |
| LogP | 1.2134 |
| Topological Polar Surface Area | 95.68 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 269.0834 |
| Heavy Atoms | 18 |
| Complexity | 532.82526 |
Chemical Identifiers
| CAS Number | 80037-03-2 |
|---|---|
| SMILES | CCCCCC(=O)/C=C/SC1=NNC(=O)NC1=O |
Product Overview
6-[(E)-3-oxooct-1-enyl]sulfanyl-2H-1,2,4-triazine-3,5-dione (CAS 80037-03-2), with molecular formula C11H15N3O3S and molecular weight 269.08 g/mol. IUPAC: 6-[(E)-3-oxooct-1-enyl]sulfanyl-2H-1,2,4-triazine-3,5-dione.
Chemical Property Profile of 6-[(E)-3-oxooct-1-enyl]sulfanyl-2H-1,2,4-triazine-3,5-dione
Property Insights of 6-[(E)-3-oxooct-1-enyl]sulfanyl-2H-1,2,4-triazine-3,5-dione
The XLogP value of 1.2134 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-[(E)-3-oxooct-1-enyl]sulfanyl-2H-1,2,4-triazine-3,5-dione. The TPSA of 95.68 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-[(E)-3-oxooct-1-enyl]sulfanyl-2H-1,2,4-triazine-3,5-dione. Following Lipinski's Rule of Five, 6-[(E)-3-oxooct-1-enyl]sulfanyl-2H-1,2,4-triazine-3,5-dione 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-[(E)-3-oxooct-1-enyl]sulfanyl-2H-1,2,4-triazine-3,5-dione?
The CAS number of 6-[(E)-3-oxooct-1-enyl]sulfanyl-2H-1,2,4-triazine-3,5-dione is 80037-03-2.
What is the molecular formula of 6-[(E)-3-oxooct-1-enyl]sulfanyl-2H-1,2,4-triazine-3,5-dione?
The molecular formula of 6-[(E)-3-oxooct-1-enyl]sulfanyl-2H-1,2,4-triazine-3,5-dione is C11H15N3O3S.
What is the molecular weight of 6-[(E)-3-oxooct-1-enyl]sulfanyl-2H-1,2,4-triazine-3,5-dione?
The molecular weight of 6-[(E)-3-oxooct-1-enyl]sulfanyl-2H-1,2,4-triazine-3,5-dione is 269.08 g/mol.
Where can I buy 6-[(E)-3-oxooct-1-enyl]sulfanyl-2H-1,2,4-triazine-3,5-dione?
You can request a quote for 6-[(E)-3-oxooct-1-enyl]sulfanyl-2H-1,2,4-triazine-3,5-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-[(E)-3-oxooct-1-enyl]sulfanyl-2H-1,2,4-triazine-3,5-dione?
Yes, KEHONG BIO provides custom synthesis services for 6-[(E)-3-oxooct-1-enyl]sulfanyl-2H-1,2,4-triazine-3,5-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.