![3-Methyl-7-(methylsulfanyl)-3h-[1,2,3]triazolo[4,5-d]pyrimidine structure](/static/products/697/69770-76-9.png)
3-Methyl-7-(methylsulfanyl)-3h-[1,2,3]triazolo[4,5-d]pyrimidine
TL;DR: 3-Methyl-7-(methylsulfanyl)-3h-[1,2,3]triazolo[4,5-d]pyrimidine (CAS 69770-76-9) 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.
3-methyl-7-methylsulfanyltriazolo[4,5-d]pyrimidine
Also Known As: 3-methyl-7-methylsulfanyltriazolo[4,5-d]pyrimidine, 3-methyl-7-(methylsulfanyl)-3h-[1,2,3]triazolo[4,5-d]pyrimidine, 3-Methyl-7-(methylthio)-3H-[1,2,3]triazolo[4,5-d]pyrimidine, 1,2,3-Triazolo(5',4'-4,5)pyrimidine, 1'-methyl-6-methylthio-
| Molecular Formula | C6H7N5S |
|---|---|
| Molecular Weight | 181.04 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 81.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 181.04222 |
| Heavy Atoms | 12 |
| Complexity | 166.0 |
Chemical Identifiers
| CAS Number | 69770-76-9 |
|---|---|
| SMILES | CN1C2=C(C(=NC=N2)SC)N=N1 |
| InChIKey | RTJGCPZHRASTEJ-UHFFFAOYSA-N |
Product Overview
3-Methyl-7-(methylsulfanyl)-3h-[1,2,3]triazolo[4,5-d]pyrimidine (CAS 69770-76-9), with molecular formula C6H7N5S and molecular weight 181.04 g/mol. IUPAC: 3-methyl-7-methylsulfanyltriazolo[4,5-d]pyrimidine.
Chemical Property Profile of 3-Methyl-7-(methylsulfanyl)-3h-[1,2,3]triazolo[4,5-d]pyrimidine
Property Insights of 3-Methyl-7-(methylsulfanyl)-3h-[1,2,3]triazolo[4,5-d]pyrimidine
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methyl-7-(methylsulfanyl)-3h-[1,2,3]triazolo[4,5-d]pyrimidine. The TPSA of 81.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyl-7-(methylsulfanyl)-3h-[1,2,3]triazolo[4,5-d]pyrimidine. Following Lipinski's Rule of Five, 3-Methyl-7-(methylsulfanyl)-3h-[1,2,3]triazolo[4,5-d]pyrimidine has 0 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 3-Methyl-7-(methylsulfanyl)-3h-[1,2,3]triazolo[4,5-d]pyrimidine?
The CAS number of 3-Methyl-7-(methylsulfanyl)-3h-[1,2,3]triazolo[4,5-d]pyrimidine is 69770-76-9.
What is the molecular formula of 3-Methyl-7-(methylsulfanyl)-3h-[1,2,3]triazolo[4,5-d]pyrimidine?
The molecular formula of 3-Methyl-7-(methylsulfanyl)-3h-[1,2,3]triazolo[4,5-d]pyrimidine is C6H7N5S.
What is the molecular weight of 3-Methyl-7-(methylsulfanyl)-3h-[1,2,3]triazolo[4,5-d]pyrimidine?
The molecular weight of 3-Methyl-7-(methylsulfanyl)-3h-[1,2,3]triazolo[4,5-d]pyrimidine is 181.04 g/mol.
Where can I buy 3-Methyl-7-(methylsulfanyl)-3h-[1,2,3]triazolo[4,5-d]pyrimidine?
You can request a quote for 3-Methyl-7-(methylsulfanyl)-3h-[1,2,3]triazolo[4,5-d]pyrimidine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyl-7-(methylsulfanyl)-3h-[1,2,3]triazolo[4,5-d]pyrimidine?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyl-7-(methylsulfanyl)-3h-[1,2,3]triazolo[4,5-d]pyrimidine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.