as-Triazine-3,5(2H,4H)-dione, 6-(hexylthio)-
TL;DR: as-Triazine-3,5(2H,4H)-dione, 6-(hexylthio)- (CAS 4956-08-5) is a chemical compound with molecular formula C9H15N3O2S and molecular weight 229.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-hexylsulfanyl-6H-1,2,4-triazine-3,5-dione
Also Known As: 5-Hexylthio-6-azauracil, 6-(Hexylthio)-as-triazine-3,5(2H,4H)-dione, as-Triazine-3,5(2H,4H)-dione, 6-(hexylthio)-, 6-(hexylsulfanyl)-1,2,4-triazine-3,5(4h,6h)-dione, 6-hexylsulfanyl-6H-1,2,4-triazine-3,5-dione
| Molecular Formula | C9H15N3O2S |
|---|---|
| Molecular Weight | 229.09 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 96.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 229.0885 |
| Heavy Atoms | 15 |
| Complexity | 268.0 |
Chemical Identifiers
| CAS Number | 4956-08-5 |
|---|---|
| SMILES | CCCCCCSC1C(=O)NC(=O)N=N1 |
| InChIKey | FEUAZRCTHMGLEO-UHFFFAOYSA-N |
Product Overview
as-Triazine-3,5(2H,4H)-dione, 6-(hexylthio)- (CAS 4956-08-5), with molecular formula C9H15N3O2S and molecular weight 229.09 g/mol. IUPAC: 6-hexylsulfanyl-6H-1,2,4-triazine-3,5-dione.
Chemical Property Profile of as-Triazine-3,5(2H,4H)-dione, 6-(hexylthio)-
Property Insights of as-Triazine-3,5(2H,4H)-dione, 6-(hexylthio)-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for as-Triazine-3,5(2H,4H)-dione, 6-(hexylthio)-. The TPSA of 96.2 Ų falls within the moderate polarity range, balancing permeability and solubility for as-Triazine-3,5(2H,4H)-dione, 6-(hexylthio)-. Following Lipinski's Rule of Five, as-Triazine-3,5(2H,4H)-dione, 6-(hexylthio)- has 1 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 as-Triazine-3,5(2H,4H)-dione, 6-(hexylthio)-?
The CAS number of as-Triazine-3,5(2H,4H)-dione, 6-(hexylthio)- is 4956-08-5.
What is the molecular formula of as-Triazine-3,5(2H,4H)-dione, 6-(hexylthio)-?
The molecular formula of as-Triazine-3,5(2H,4H)-dione, 6-(hexylthio)- is C9H15N3O2S.
What is the molecular weight of as-Triazine-3,5(2H,4H)-dione, 6-(hexylthio)-?
The molecular weight of as-Triazine-3,5(2H,4H)-dione, 6-(hexylthio)- is 229.09 g/mol.
Where can I buy as-Triazine-3,5(2H,4H)-dione, 6-(hexylthio)-?
You can request a quote for as-Triazine-3,5(2H,4H)-dione, 6-(hexylthio)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for as-Triazine-3,5(2H,4H)-dione, 6-(hexylthio)-?
Yes, KEHONG BIO provides custom synthesis services for as-Triazine-3,5(2H,4H)-dione, 6-(hexylthio)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.