2,6-Dithia-1,3,7-triazaadamantane, 2,2,6,6-tetraoxide
TL;DR: 2,6-Dithia-1,3,7-triazaadamantane, 2,2,6,6-tetraoxide (CAS 60028-31-1) is a chemical compound with molecular formula C5H9N3O4S2 and molecular weight 239.00345 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2λ6,6λ6-dithia-1,3,5-triazatricyclo[3.3.1.13,7]decane 2,2,6,6-tetraoxide
Also Known As: 2,6-Dithia-1,3,7-triazaadamantane, 2,2,6,6-tetraoxide, 2,2,6,6-Tetraoxide-2,6-dithia-1,3,7-triazaadamantane, 2,6-dithia-1,3,5-triazatricyclo[3.3.1.13,7]decane 2,2,6,6-tetraoxide, 2,6-Dithia-1,3,5-triazatricyclo[3.3.1.13,7]decane,2,2,6,6-tetraoxide, 2lambda~6~,6lambda~6~-Dithia-1,3,5-triazatricyclo[3.3.1.1~3,7~]decane-2,2,6,6-tetrone
Technical Specifications
| Molecular Formula | C5H9N3O4S2 |
| Molecular Weight | 239.00345 g/mol |
| XLogP | -1.7 |
| Topological Polar Surface Area (TPSA) | 94.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 239.00345 Da |
| Heavy Atoms | 14 |
| Complexity | 450.0 |
| SMILES | C1C2CN3CN(S2(=O)=O)CN1S3(=O)=O |
| InChIKey | MRMOEWPKPSKSDA-UHFFFAOYSA-N |
Chemical Property Profile of 2,6-Dithia-1,3,7-triazaadamantane, 2,2,6,6-tetraoxide
Property Insights of 2,6-Dithia-1,3,7-triazaadamantane, 2,2,6,6-tetraoxide
The XLogP value of -1.7 indicates that 2,6-Dithia-1,3,7-triazaadamantane, 2,2,6,6-tetraoxide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 94.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,6-Dithia-1,3,7-triazaadamantane, 2,2,6,6-tetraoxide. Following Lipinski's Rule of Five, 2,6-Dithia-1,3,7-triazaadamantane, 2,2,6,6-tetraoxide has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2,6-Dithia-1,3,7-triazaadamantane, 2,2,6,6-tetraoxide?
The CAS number of 2,6-Dithia-1,3,7-triazaadamantane, 2,2,6,6-tetraoxide is 60028-31-1.
What is the molecular formula of 2,6-Dithia-1,3,7-triazaadamantane, 2,2,6,6-tetraoxide?
The molecular formula of 2,6-Dithia-1,3,7-triazaadamantane, 2,2,6,6-tetraoxide is C5H9N3O4S2.
What is the molecular weight of 2,6-Dithia-1,3,7-triazaadamantane, 2,2,6,6-tetraoxide?
The molecular weight of 2,6-Dithia-1,3,7-triazaadamantane, 2,2,6,6-tetraoxide is 239.00345 g/mol.
Where can I buy 2,6-Dithia-1,3,7-triazaadamantane, 2,2,6,6-tetraoxide?
You can request a quote for 2,6-Dithia-1,3,7-triazaadamantane, 2,2,6,6-tetraoxide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2,6-Dithia-1,3,7-triazaadamantane, 2,2,6,6-tetraoxide?
Yes, CoreyChem provides custom synthesis services for 2,6-Dithia-1,3,7-triazaadamantane, 2,2,6,6-tetraoxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.