![11-methylidene-4,10-dithia-1,8-diazatricyclo[7.3.0.0^{3,7}]dodeca-3(7),5,8-trien-2-one structure](/static/products/1266/126637-09-0.webp)
11-methylidene-4,10-dithia-1,8-diazatricyclo[7.3.0.0^{3,7}]dodeca-3(7),5,8-trien-2-one
TL;DR: 11-methylidene-4,10-dithia-1,8-diazatricyclo[7.3.0.0^{3,7}]dodeca-3(7),5,8-trien-2-one (CAS 126637-09-0) is a chemical compound with molecular formula C9H6N2OS2 and molecular weight 221.99216 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
11-methylidene-4,10-dithia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),5,8-trien-2-one
Also Known As: 11-methylidene-4,10-dithia-1,8-diazatricyclo[7.3.0.0^{3,7}]dodeca-3(7),5,8-trien-2-one, 11-methylidene-4,10-dithia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),5,8-trien-2-one, 6,7-Dihydro-6-methylene-9H-thiazolo[3,2-a]thieno[3,2-d]pyrimidin-9-one, 11-methylene-4,10-dithia-1,8-diazatricyclo[7.3.0.03,7]dodeca-3(7),5,8-trien-2-one, 11-methylidene-4,10-dithia-1,8-diazatricyclo[7.3.0.0?,?]dodeca-3(7),5,8-trien-2-one
Technical Specifications
| Molecular Formula | C9H6N2OS2 |
| Molecular Weight | 221.99216 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 86.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 221.99216 Da |
| Heavy Atoms | 14 |
| Complexity | 353.0 |
| SMILES | C=C1CN2C(=O)C3=C(C=CS3)N=C2S1 |
| InChIKey | LABKWNXMMBXBFD-UHFFFAOYSA-N |
Chemical Property Profile of 11-methylidene-4,10-dithia-1,8-diazatricyclo[7.3.0.0^{3,7}]dodeca-3(7),5,8-trien-2-one
Property Insights of 11-methylidene-4,10-dithia-1,8-diazatricyclo[7.3.0.0^{3,7}]dodeca-3(7),5,8-trien-2-one
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 11-methylidene-4,10-dithia-1,8-diazatricyclo[7.3.0.0^{3,7}]dodeca-3(7),5,8-trien-2-one. The TPSA of 86.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 11-methylidene-4,10-dithia-1,8-diazatricyclo[7.3.0.0^{3,7}]dodeca-3(7),5,8-trien-2-one. Following Lipinski's Rule of Five, 11-methylidene-4,10-dithia-1,8-diazatricyclo[7.3.0.0^{3,7}]dodeca-3(7),5,8-trien-2-one 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
What is the CAS number of 11-methylidene-4,10-dithia-1,8-diazatricyclo[7.3.0.0^{3,7}]dodeca-3(7),5,8-trien-2-one?
The CAS number of 11-methylidene-4,10-dithia-1,8-diazatricyclo[7.3.0.0^{3,7}]dodeca-3(7),5,8-trien-2-one is 126637-09-0.
What is the molecular formula of 11-methylidene-4,10-dithia-1,8-diazatricyclo[7.3.0.0^{3,7}]dodeca-3(7),5,8-trien-2-one?
The molecular formula of 11-methylidene-4,10-dithia-1,8-diazatricyclo[7.3.0.0^{3,7}]dodeca-3(7),5,8-trien-2-one is C9H6N2OS2.
What is the molecular weight of 11-methylidene-4,10-dithia-1,8-diazatricyclo[7.3.0.0^{3,7}]dodeca-3(7),5,8-trien-2-one?
The molecular weight of 11-methylidene-4,10-dithia-1,8-diazatricyclo[7.3.0.0^{3,7}]dodeca-3(7),5,8-trien-2-one is 221.99216 g/mol.
Where can I buy 11-methylidene-4,10-dithia-1,8-diazatricyclo[7.3.0.0^{3,7}]dodeca-3(7),5,8-trien-2-one?
You can request a quote for 11-methylidene-4,10-dithia-1,8-diazatricyclo[7.3.0.0^{3,7}]dodeca-3(7),5,8-trien-2-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 11-methylidene-4,10-dithia-1,8-diazatricyclo[7.3.0.0^{3,7}]dodeca-3(7),5,8-trien-2-one?
Yes, CoreyChem provides custom synthesis services for 11-methylidene-4,10-dithia-1,8-diazatricyclo[7.3.0.0^{3,7}]dodeca-3(7),5,8-trien-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.