6-(Decylthio)-1,2,4-triazine-3,5(2H,4H)-dione
TL;DR: 6-(Decylthio)-1,2,4-triazine-3,5(2H,4H)-dione (CAS 301688-52-8) is a chemical compound with molecular formula C13H23N3O2S and molecular weight 285.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-decylsulfanyl-2H-1,2,4-triazine-3,5-dione
Also Known As: BAS 01262402, 6-(decylsulfanyl)-1,2,4-triazine-3,5-diol, 6-decylsulfanyl-2H-1,2,4-triazine-3,5-dione, 6-decylthio-2H,4H-1,2,4-triazine-3,5-dione, 6-Decylsulfanyl-2H-[1,2,4]triazine-3,5-dione
| Molecular Formula | C13H23N3O2S |
|---|---|
| Molecular Weight | 285.15 g/mol |
| LogP | 2.691 |
| Topological Polar Surface Area | 78.61 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 285.1511 |
| Heavy Atoms | 19 |
| Complexity | 455.69183 |
Chemical Identifiers
| CAS Number | 301688-52-8 |
|---|---|
| SMILES | CCCCCCCCCCSC1=NNC(=O)NC1=O |
Product Overview
6-(Decylthio)-1,2,4-triazine-3,5(2H,4H)-dione (CAS 301688-52-8), with molecular formula C13H23N3O2S and molecular weight 285.15 g/mol. IUPAC: 6-decylsulfanyl-2H-1,2,4-triazine-3,5-dione.
Chemical Property Profile of 6-(Decylthio)-1,2,4-triazine-3,5(2H,4H)-dione
Property Insights of 6-(Decylthio)-1,2,4-triazine-3,5(2H,4H)-dione
The XLogP value of 2.691 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-(Decylthio)-1,2,4-triazine-3,5(2H,4H)-dione. The TPSA of 78.61 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-(Decylthio)-1,2,4-triazine-3,5(2H,4H)-dione. Following Lipinski's Rule of Five, 6-(Decylthio)-1,2,4-triazine-3,5(2H,4H)-dione 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-(Decylthio)-1,2,4-triazine-3,5(2H,4H)-dione?
The CAS number of 6-(Decylthio)-1,2,4-triazine-3,5(2H,4H)-dione is 301688-52-8.
What is the molecular formula of 6-(Decylthio)-1,2,4-triazine-3,5(2H,4H)-dione?
The molecular formula of 6-(Decylthio)-1,2,4-triazine-3,5(2H,4H)-dione is C13H23N3O2S.
What is the molecular weight of 6-(Decylthio)-1,2,4-triazine-3,5(2H,4H)-dione?
The molecular weight of 6-(Decylthio)-1,2,4-triazine-3,5(2H,4H)-dione is 285.15 g/mol.
Where can I buy 6-(Decylthio)-1,2,4-triazine-3,5(2H,4H)-dione?
You can request a quote for 6-(Decylthio)-1,2,4-triazine-3,5(2H,4H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-(Decylthio)-1,2,4-triazine-3,5(2H,4H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 6-(Decylthio)-1,2,4-triazine-3,5(2H,4H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.