![7-methyl-3-thia-1,8,12-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),7,9,11-tetraene-10-carbonitrile structure](/static/products/866/866145-04-2.png)
7-methyl-3-thia-1,8,12-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),7,9,11-tetraene-10-carbonitrile
TL;DR: 7-methyl-3-thia-1,8,12-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),7,9,11-tetraene-10-carbonitrile (CAS 866145-04-2) is a chemical compound with molecular formula C10H8N4S and molecular weight 216.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-methyl-3-thia-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10-carbonitrile
Also Known As: 7-methyl-3-thia-1,8,12-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),7,9,11-tetraene-10-carbonitrile, 9T-0337, 5-methyl-6,7-dihydropyrazolo[1,5-a]thieno[3,2-e]pyrimidine-3-carbonitrile, 5-methyl-6,7-dihydropyrazolo[1,5-a]thieno[3,2-e]pyrimidine-2-carbonitrile, 7-methyl-3-thia-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10-carbonitrile
| Molecular Formula | C10H8N4S |
|---|---|
| Molecular Weight | 216.05 g/mol |
| LogP | 1.5576 |
| Topological Polar Surface Area | 53.98 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 216.04697 |
| Heavy Atoms | 15 |
| Complexity | 593.4687 |
Chemical Identifiers
| CAS Number | 866145-04-2 |
|---|---|
| SMILES | CC1=NC2=C(C=NN2C3=C1CCS3)C#N |
Product Overview
7-methyl-3-thia-1,8,12-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),7,9,11-tetraene-10-carbonitrile (CAS 866145-04-2), with molecular formula C10H8N4S and molecular weight 216.05 g/mol. IUPAC: 7-methyl-3-thia-1,8,12-triazatricyclo[7.3.0.02,6]dodeca-2(6),7,9,11-tetraene-10-carbonitrile.
Chemical Property Profile of 7-methyl-3-thia-1,8,12-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),7,9,11-tetraene-10-carbonitrile
Property Insights of 7-methyl-3-thia-1,8,12-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),7,9,11-tetraene-10-carbonitrile
The XLogP value of 1.5576 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-methyl-3-thia-1,8,12-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),7,9,11-tetraene-10-carbonitrile. With a topological polar surface area (TPSA) of 53.98 Ų, 7-methyl-3-thia-1,8,12-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),7,9,11-tetraene-10-carbonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-methyl-3-thia-1,8,12-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),7,9,11-tetraene-10-carbonitrile has 0 hydrogen bond donor(s) and 4 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-3-thia-1,8,12-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),7,9,11-tetraene-10-carbonitrile?
The CAS number of 7-methyl-3-thia-1,8,12-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),7,9,11-tetraene-10-carbonitrile is 866145-04-2.
What is the molecular formula of 7-methyl-3-thia-1,8,12-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),7,9,11-tetraene-10-carbonitrile?
The molecular formula of 7-methyl-3-thia-1,8,12-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),7,9,11-tetraene-10-carbonitrile is C10H8N4S.
What is the molecular weight of 7-methyl-3-thia-1,8,12-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),7,9,11-tetraene-10-carbonitrile?
The molecular weight of 7-methyl-3-thia-1,8,12-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),7,9,11-tetraene-10-carbonitrile is 216.05 g/mol.
Where can I buy 7-methyl-3-thia-1,8,12-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),7,9,11-tetraene-10-carbonitrile?
You can request a quote for 7-methyl-3-thia-1,8,12-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),7,9,11-tetraene-10-carbonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-methyl-3-thia-1,8,12-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),7,9,11-tetraene-10-carbonitrile?
Yes, KEHONG BIO provides custom synthesis services for 7-methyl-3-thia-1,8,12-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),7,9,11-tetraene-10-carbonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.