3-Ethylsulfanyl-5H-pyrimido(4,5-E)(1,2,4)triazine-6,8-dione
TL;DR: 3-Ethylsulfanyl-5H-pyrimido(4,5-E)(1,2,4)triazine-6,8-dione (CAS 7271-92-3) is a chemical compound with molecular formula C7H7N5O2S and molecular weight 225.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethylsulfanyl-5H-pyrimido[4,5-e][1,2,4]triazine-6,8-dione
Also Known As: ChemDiv3_014672, IDI1_030470, 3-(ethylsulfanyl)-5H,6H,7H,8H-pyrimido[4,5-e][1,2,4]triazine-6,8-dione, 3-(ethylthio)pyrimido[4,5-e][1,2,4]triazine-6,8(5H,7H)-dione, 3-ethylsulfanyl-5H-pyrimido[4,5-e][1,2,4]triazine-6,8-dione
| Molecular Formula | C7H7N5O2S |
|---|---|
| Molecular Weight | 225.03 g/mol |
| LogP | -0.4866 |
| Topological Polar Surface Area | 104.39 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 225.03204 |
| Heavy Atoms | 15 |
| Complexity | 604.0874 |
Chemical Identifiers
| CAS Number | 7271-92-3 |
|---|---|
| SMILES | CCSC1=NC2=C(C(=O)NC(=O)N2)N=N1 |
Product Overview
3-Ethylsulfanyl-5H-pyrimido(4,5-E)(1,2,4)triazine-6,8-dione (CAS 7271-92-3), with molecular formula C7H7N5O2S and molecular weight 225.03 g/mol. IUPAC: 3-ethylsulfanyl-5H-pyrimido[4,5-e][1,2,4]triazine-6,8-dione.
Chemical Property Profile of 3-Ethylsulfanyl-5H-pyrimido(4,5-E)(1,2,4)triazine-6,8-dione
Property Insights of 3-Ethylsulfanyl-5H-pyrimido(4,5-E)(1,2,4)triazine-6,8-dione
The XLogP value of -0.4866 indicates that 3-Ethylsulfanyl-5H-pyrimido(4,5-E)(1,2,4)triazine-6,8-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 104.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Ethylsulfanyl-5H-pyrimido(4,5-E)(1,2,4)triazine-6,8-dione. Following Lipinski's Rule of Five, 3-Ethylsulfanyl-5H-pyrimido(4,5-E)(1,2,4)triazine-6,8-dione has 2 hydrogen bond donor(s) and 6 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 3-Ethylsulfanyl-5H-pyrimido(4,5-E)(1,2,4)triazine-6,8-dione?
The CAS number of 3-Ethylsulfanyl-5H-pyrimido(4,5-E)(1,2,4)triazine-6,8-dione is 7271-92-3.
What is the molecular formula of 3-Ethylsulfanyl-5H-pyrimido(4,5-E)(1,2,4)triazine-6,8-dione?
The molecular formula of 3-Ethylsulfanyl-5H-pyrimido(4,5-E)(1,2,4)triazine-6,8-dione is C7H7N5O2S.
What is the molecular weight of 3-Ethylsulfanyl-5H-pyrimido(4,5-E)(1,2,4)triazine-6,8-dione?
The molecular weight of 3-Ethylsulfanyl-5H-pyrimido(4,5-E)(1,2,4)triazine-6,8-dione is 225.03 g/mol.
Where can I buy 3-Ethylsulfanyl-5H-pyrimido(4,5-E)(1,2,4)triazine-6,8-dione?
You can request a quote for 3-Ethylsulfanyl-5H-pyrimido(4,5-E)(1,2,4)triazine-6,8-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethylsulfanyl-5H-pyrimido(4,5-E)(1,2,4)triazine-6,8-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethylsulfanyl-5H-pyrimido(4,5-E)(1,2,4)triazine-6,8-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.