9Lambda6-thiabicyclo(3.3.1)nonane-3,9,9-trione
TL;DR: 9Lambda6-thiabicyclo(3.3.1)nonane-3,9,9-trione (CAS 67194-71-2) is a chemical compound with molecular formula C8H12O3S and molecular weight 188.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9,9-dioxo-9λ6-thiabicyclo[3.3.1]nonan-3-one
Also Known As: 9,9-dioxo-9, 9lambda6-thiabicyclo[3.3.1]nonane-3,9,9-trione, 9-Thiabicyclo[3.3.1]nonan-3-one 9,9-dioxide, 9,9-dioxo-9lambda6-thiabicyclo[3.3.1]nonan-3-one, 9Lambda6-thiabicyclo(3.3.1)nonane-3,9,9-trione
| Molecular Formula | C8H12O3S |
|---|---|
| Molecular Weight | 188.05 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 59.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 188.05072 |
| Heavy Atoms | 12 |
| Complexity | 277.0 |
Chemical Identifiers
| CAS Number | 67194-71-2 |
|---|---|
| SMILES | C1CC2CC(=O)CC(C1)S2(=O)=O |
| InChIKey | SZYHPFYCBVAWHO-UHFFFAOYSA-N |
Product Overview
9Lambda6-thiabicyclo(3.3.1)nonane-3,9,9-trione (CAS 67194-71-2), with molecular formula C8H12O3S and molecular weight 188.05 g/mol. IUPAC: 9,9-dioxo-9λ6-thiabicyclo[3.3.1]nonan-3-one.
Chemical Property Profile of 9Lambda6-thiabicyclo(3.3.1)nonane-3,9,9-trione
Property Insights of 9Lambda6-thiabicyclo(3.3.1)nonane-3,9,9-trione
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9Lambda6-thiabicyclo(3.3.1)nonane-3,9,9-trione. With a topological polar surface area (TPSA) of 59.6 Ų, 9Lambda6-thiabicyclo(3.3.1)nonane-3,9,9-trione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9Lambda6-thiabicyclo(3.3.1)nonane-3,9,9-trione has 0 hydrogen bond donor(s) and 3 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 9Lambda6-thiabicyclo(3.3.1)nonane-3,9,9-trione?
The CAS number of 9Lambda6-thiabicyclo(3.3.1)nonane-3,9,9-trione is 67194-71-2.
What is the molecular formula of 9Lambda6-thiabicyclo(3.3.1)nonane-3,9,9-trione?
The molecular formula of 9Lambda6-thiabicyclo(3.3.1)nonane-3,9,9-trione is C8H12O3S.
What is the molecular weight of 9Lambda6-thiabicyclo(3.3.1)nonane-3,9,9-trione?
The molecular weight of 9Lambda6-thiabicyclo(3.3.1)nonane-3,9,9-trione is 188.05 g/mol.
Where can I buy 9Lambda6-thiabicyclo(3.3.1)nonane-3,9,9-trione?
You can request a quote for 9Lambda6-thiabicyclo(3.3.1)nonane-3,9,9-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9Lambda6-thiabicyclo(3.3.1)nonane-3,9,9-trione?
Yes, KEHONG BIO provides custom synthesis services for 9Lambda6-thiabicyclo(3.3.1)nonane-3,9,9-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.