![3-(methylsulfanyl)pyrimido[4,5-e][1,2,4]triazine-6,8(5H,7H)-dione structure](/static/products/7271/7271-91-2.webp)
3-(methylsulfanyl)pyrimido[4,5-e][1,2,4]triazine-6,8(5H,7H)-dione
TL;DR: 3-(methylsulfanyl)pyrimido[4,5-e][1,2,4]triazine-6,8(5H,7H)-dione (CAS 7271-91-2) is a chemical compound with molecular formula C6H5N5O2S and molecular weight 211.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylsulfanyl-5H-pyrimido[4,5-e][1,2,4]triazine-6,8-dione
Also Known As: 3-methylsulfanyl-5H-pyrimido[4,5-e][1,2,4]triazine-6,8-dione, 3-(methylsulfanyl)pyrimido[4,5-e][1,2,4]triazine-6,8(5H,7H)-dione
| Molecular Formula | C6H5N5O2S |
|---|---|
| Molecular Weight | 211.02 g/mol |
| LogP | -0.8767 |
| Topological Polar Surface Area | 104.39 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 211.0164 |
| Heavy Atoms | 14 |
| Complexity | 588.5269 |
Chemical Identifiers
| CAS Number | 7271-91-2 |
|---|---|
| SMILES | CSC1=NC2=C(C(=O)NC(=O)N2)N=N1 |
Product Overview
3-(methylsulfanyl)pyrimido[4,5-e][1,2,4]triazine-6,8(5H,7H)-dione (CAS 7271-91-2), with molecular formula C6H5N5O2S and molecular weight 211.02 g/mol. IUPAC: 3-methylsulfanyl-5H-pyrimido[4,5-e][1,2,4]triazine-6,8-dione.
Chemical Property Profile of 3-(methylsulfanyl)pyrimido[4,5-e][1,2,4]triazine-6,8(5H,7H)-dione
Property Insights of 3-(methylsulfanyl)pyrimido[4,5-e][1,2,4]triazine-6,8(5H,7H)-dione
The XLogP value of -0.8767 indicates that 3-(methylsulfanyl)pyrimido[4,5-e][1,2,4]triazine-6,8(5H,7H)-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-(methylsulfanyl)pyrimido[4,5-e][1,2,4]triazine-6,8(5H,7H)-dione. Following Lipinski's Rule of Five, 3-(methylsulfanyl)pyrimido[4,5-e][1,2,4]triazine-6,8(5H,7H)-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-(methylsulfanyl)pyrimido[4,5-e][1,2,4]triazine-6,8(5H,7H)-dione?
The CAS number of 3-(methylsulfanyl)pyrimido[4,5-e][1,2,4]triazine-6,8(5H,7H)-dione is 7271-91-2.
What is the molecular formula of 3-(methylsulfanyl)pyrimido[4,5-e][1,2,4]triazine-6,8(5H,7H)-dione?
The molecular formula of 3-(methylsulfanyl)pyrimido[4,5-e][1,2,4]triazine-6,8(5H,7H)-dione is C6H5N5O2S.
What is the molecular weight of 3-(methylsulfanyl)pyrimido[4,5-e][1,2,4]triazine-6,8(5H,7H)-dione?
The molecular weight of 3-(methylsulfanyl)pyrimido[4,5-e][1,2,4]triazine-6,8(5H,7H)-dione is 211.02 g/mol.
Where can I buy 3-(methylsulfanyl)pyrimido[4,5-e][1,2,4]triazine-6,8(5H,7H)-dione?
You can request a quote for 3-(methylsulfanyl)pyrimido[4,5-e][1,2,4]triazine-6,8(5H,7H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(methylsulfanyl)pyrimido[4,5-e][1,2,4]triazine-6,8(5H,7H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-(methylsulfanyl)pyrimido[4,5-e][1,2,4]triazine-6,8(5H,7H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.