![7-(Propan-2-yl)-2,4,5,7-tetraazatricyclo[6.4.0.0,2,6]dodeca-1(12),3,5,8,10-pentaene-3-thiol structure](/static/products/7369/736960-52-4.webp)
7-(Propan-2-yl)-2,4,5,7-tetraazatricyclo[6.4.0.0,2,6]dodeca-1(12),3,5,8,10-pentaene-3-thiol
TL;DR: 7-(Propan-2-yl)-2,4,5,7-tetraazatricyclo[6.4.0.0,2,6]dodeca-1(12),3,5,8,10-pentaene-3-thiol (CAS 736960-52-4) is a chemical compound with molecular formula C11H12N4S and molecular weight 232.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-propan-2-yl-2H-[1,2,4]triazolo[4,3-a]benzimidazole-1-thione
Also Known As: 7-(Propan-2-yl)-2,4,5,7-tetraazatricyclo[6.4.0.0,2,6]dodeca-1(12),3,5,8,10-pentaene-3-thiol, 9-Isopropyl-9H-benzo[4,5]imidazo[2,1-c][1,2,4]triazole-3-thiol, 4-propan-2-yl-2H-[1,2,4]triazolo[4,3-a]benzimidazole-1-thione, 7-(propan-2-yl)-2,4,5,7-tetraazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),3,5,9,11-pentaene-3-thiol, 2,9-Dihydro-9-(1-methylethyl)-3H-1,2,4-triazolo[4,3-a]benzimidazole-3-thione
| Molecular Formula | C11H12N4S |
|---|---|
| Molecular Weight | 232.08 g/mol |
| LogP | 2.92749 |
| Topological Polar Surface Area | 38.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 232.07826 |
| Heavy Atoms | 16 |
| Complexity | 716.3126 |
Chemical Identifiers
| CAS Number | 736960-52-4 |
|---|---|
| SMILES | CC(C)N1C2=CC=CC=C2N3C1=NNC3=S |
Product Overview
7-(Propan-2-yl)-2,4,5,7-tetraazatricyclo[6.4.0.0,2,6]dodeca-1(12),3,5,8,10-pentaene-3-thiol (CAS 736960-52-4), with molecular formula C11H12N4S and molecular weight 232.08 g/mol. IUPAC: 4-propan-2-yl-2H-[1,2,4]triazolo[4,3-a]benzimidazole-1-thione.
Chemical Property Profile of 7-(Propan-2-yl)-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-(Propan-2-yl)-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 2.92749 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-(Propan-2-yl)-2,4,5,7-tetraazatricyclo[6.4.0.0,2,6]dodeca-1(12),3,5,8,10-pentaene-3-thiol. With a topological polar surface area (TPSA) of 38.02 Ų, 7-(Propan-2-yl)-2,4,5,7-tetraazatricyclo[6.4.0.0,2,6]dodeca-1(12),3,5,8,10-pentaene-3-thiol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-(Propan-2-yl)-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-(Propan-2-yl)-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-(Propan-2-yl)-2,4,5,7-tetraazatricyclo[6.4.0.0,2,6]dodeca-1(12),3,5,8,10-pentaene-3-thiol is 736960-52-4.
What is the molecular formula of 7-(Propan-2-yl)-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-(Propan-2-yl)-2,4,5,7-tetraazatricyclo[6.4.0.0,2,6]dodeca-1(12),3,5,8,10-pentaene-3-thiol is C11H12N4S.
What is the molecular weight of 7-(Propan-2-yl)-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-(Propan-2-yl)-2,4,5,7-tetraazatricyclo[6.4.0.0,2,6]dodeca-1(12),3,5,8,10-pentaene-3-thiol is 232.08 g/mol.
Where can I buy 7-(Propan-2-yl)-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-(Propan-2-yl)-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-(Propan-2-yl)-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-(Propan-2-yl)-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.