![5-(Methylsulfanyl)-1,2-dihydropyrimido[5,4-e][1,2,4]triazine structure](/static/products/2130/21308-95-2.webp)
5-(Methylsulfanyl)-1,2-dihydropyrimido[5,4-e][1,2,4]triazine
TL;DR: 5-(Methylsulfanyl)-1,2-dihydropyrimido[5,4-e][1,2,4]triazine (CAS 21308-95-2) is a chemical compound with molecular formula C6H7N5S and molecular weight 181.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methylsulfanyl-1,2-dihydropyrimido[5,4-e][1,2,4]triazine
Also Known As: nicotine 3-heteroaromatic analogue 8, 5-(methylsulfanyl)-1,2-dihydropyrimido[5,4-e][1,2,4]triazine, 5-methylsulfanyl-1,2-dihydropyrimido[5,4-e][1,2,4]triazine
| Molecular Formula | C6H7N5S |
|---|---|
| Molecular Weight | 181.04 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 87.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 181.04222 |
| Heavy Atoms | 12 |
| Complexity | 185.0 |
Chemical Identifiers
| CAS Number | 21308-95-2 |
|---|---|
| SMILES | CSC1=NC=NC2=C1N=CNN2 |
| InChIKey | XFPIBOCXBRHHEI-UHFFFAOYSA-N |
Product Overview
5-(Methylsulfanyl)-1,2-dihydropyrimido[5,4-e][1,2,4]triazine (CAS 21308-95-2), with molecular formula C6H7N5S and molecular weight 181.04 g/mol. IUPAC: 5-methylsulfanyl-1,2-dihydropyrimido[5,4-e][1,2,4]triazine.
Chemical Property Profile of 5-(Methylsulfanyl)-1,2-dihydropyrimido[5,4-e][1,2,4]triazine
Property Insights of 5-(Methylsulfanyl)-1,2-dihydropyrimido[5,4-e][1,2,4]triazine
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Methylsulfanyl)-1,2-dihydropyrimido[5,4-e][1,2,4]triazine. The TPSA of 87.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Methylsulfanyl)-1,2-dihydropyrimido[5,4-e][1,2,4]triazine. Following Lipinski's Rule of Five, 5-(Methylsulfanyl)-1,2-dihydropyrimido[5,4-e][1,2,4]triazine 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 5-(Methylsulfanyl)-1,2-dihydropyrimido[5,4-e][1,2,4]triazine?
The CAS number of 5-(Methylsulfanyl)-1,2-dihydropyrimido[5,4-e][1,2,4]triazine is 21308-95-2.
What is the molecular formula of 5-(Methylsulfanyl)-1,2-dihydropyrimido[5,4-e][1,2,4]triazine?
The molecular formula of 5-(Methylsulfanyl)-1,2-dihydropyrimido[5,4-e][1,2,4]triazine is C6H7N5S.
What is the molecular weight of 5-(Methylsulfanyl)-1,2-dihydropyrimido[5,4-e][1,2,4]triazine?
The molecular weight of 5-(Methylsulfanyl)-1,2-dihydropyrimido[5,4-e][1,2,4]triazine is 181.04 g/mol.
Where can I buy 5-(Methylsulfanyl)-1,2-dihydropyrimido[5,4-e][1,2,4]triazine?
You can request a quote for 5-(Methylsulfanyl)-1,2-dihydropyrimido[5,4-e][1,2,4]triazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Methylsulfanyl)-1,2-dihydropyrimido[5,4-e][1,2,4]triazine?
Yes, KEHONG BIO provides custom synthesis services for 5-(Methylsulfanyl)-1,2-dihydropyrimido[5,4-e][1,2,4]triazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.