![7-Methyl-2,4,5,7-tetraazatricyclo[6.4.0.0,2,6]dodeca-1(12),3,5,8,10-pentaene-3-thiol structure](/static/products/2165/2165-12-0.webp)
7-Methyl-2,4,5,7-tetraazatricyclo[6.4.0.0,2,6]dodeca-1(12),3,5,8,10-pentaene-3-thiol
TL;DR: 7-Methyl-2,4,5,7-tetraazatricyclo[6.4.0.0,2,6]dodeca-1(12),3,5,8,10-pentaene-3-thiol (CAS 2165-12-0) is a chemical compound with molecular formula C9H8N4S and molecular weight 204.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methyl-2H-[1,2,4]triazolo[4,3-a]benzimidazole-1-thione
Also Known As: 7-Methyl-2,4,5,7-tetraazatricyclo[6.4.0.0,2,6]dodeca-1(12),3,5,8,10-pentaene-3-thiol, SDCCGMLS-0065128.P001, SDCCGSBI-0660458.P001, 4-methyl-2H-[1,2,4]triazolo[4,3-a]benzimidazole-1-thione, 9-methyl-9H-[1,2,4]triazolo[4,3-a]benzimidazole-3-thiol
| Molecular Formula | C9H8N4S |
|---|---|
| Molecular Weight | 204.05 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 63.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 204.04697 |
| Heavy Atoms | 14 |
| Complexity | 314.0 |
Chemical Identifiers
| CAS Number | 2165-12-0 |
|---|---|
| SMILES | CN1C2=CC=CC=C2N3C1=NNC3=S |
| InChIKey | KKRXWMLLDAIWCO-UHFFFAOYSA-N |
Product Overview
7-Methyl-2,4,5,7-tetraazatricyclo[6.4.0.0,2,6]dodeca-1(12),3,5,8,10-pentaene-3-thiol (CAS 2165-12-0), with molecular formula C9H8N4S and molecular weight 204.05 g/mol. IUPAC: 4-methyl-2H-[1,2,4]triazolo[4,3-a]benzimidazole-1-thione.
Chemical Property Profile of 7-Methyl-2,4,5,7-tetraazatricyclo[6.4.0.0,2,6]dodeca-1(12),3,5,8,10-pentaene-3-thiol
Property Insights of 7-Methyl-2,4,5,7-tetraazatricyclo[6.4.0.0,2,6]dodeca-1(12),3,5,8,10-pentaene-3-thiol
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Methyl-2,4,5,7-tetraazatricyclo[6.4.0.0,2,6]dodeca-1(12),3,5,8,10-pentaene-3-thiol. The TPSA of 63.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Methyl-2,4,5,7-tetraazatricyclo[6.4.0.0,2,6]dodeca-1(12),3,5,8,10-pentaene-3-thiol. Following Lipinski's Rule of Five, 7-Methyl-2,4,5,7-tetraazatricyclo[6.4.0.0,2,6]dodeca-1(12),3,5,8,10-pentaene-3-thiol has 1 hydrogen bond donor(s) and 2 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 7-Methyl-2,4,5,7-tetraazatricyclo[6.4.0.0,2,6]dodeca-1(12),3,5,8,10-pentaene-3-thiol?
The CAS number of 7-Methyl-2,4,5,7-tetraazatricyclo[6.4.0.0,2,6]dodeca-1(12),3,5,8,10-pentaene-3-thiol is 2165-12-0.
What is the molecular formula of 7-Methyl-2,4,5,7-tetraazatricyclo[6.4.0.0,2,6]dodeca-1(12),3,5,8,10-pentaene-3-thiol?
The molecular formula of 7-Methyl-2,4,5,7-tetraazatricyclo[6.4.0.0,2,6]dodeca-1(12),3,5,8,10-pentaene-3-thiol is C9H8N4S.
What is the molecular weight of 7-Methyl-2,4,5,7-tetraazatricyclo[6.4.0.0,2,6]dodeca-1(12),3,5,8,10-pentaene-3-thiol?
The molecular weight of 7-Methyl-2,4,5,7-tetraazatricyclo[6.4.0.0,2,6]dodeca-1(12),3,5,8,10-pentaene-3-thiol is 204.05 g/mol.
Where can I buy 7-Methyl-2,4,5,7-tetraazatricyclo[6.4.0.0,2,6]dodeca-1(12),3,5,8,10-pentaene-3-thiol?
You can request a quote for 7-Methyl-2,4,5,7-tetraazatricyclo[6.4.0.0,2,6]dodeca-1(12),3,5,8,10-pentaene-3-thiol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Methyl-2,4,5,7-tetraazatricyclo[6.4.0.0,2,6]dodeca-1(12),3,5,8,10-pentaene-3-thiol?
Yes, KEHONG BIO provides custom synthesis services for 7-Methyl-2,4,5,7-tetraazatricyclo[6.4.0.0,2,6]dodeca-1(12),3,5,8,10-pentaene-3-thiol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.