7-Thiabicyclo(4.2.0)octa-1,3,5-triene 7,7-dioxide
TL;DR: 7-Thiabicyclo(4.2.0)octa-1,3,5-triene 7,7-dioxide (CAS 16065-50-2) is a chemical compound with molecular formula C7H6O2S and molecular weight 154.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7λ6-thiabicyclo[4.2.0]octa-1,3,5-triene 7,7-dioxide
Also Known As: 7-Thiabicyclo(4.2.0)octa-1,3,5-triene 7,7-dioxide, 7-Thiabicyclo[4.2.0]octa-1,3,5-triene 7,7-dioxide, 7lambda6-thiabicyclo[4.2.0]octa-1,3,5-triene 7,7-dioxide, 7-Thiabicyclo[4.2.0]octa-1,3,5-triene,7,7-dioxide, E6-thiabicyclo[4.2.0]octa-1,3,5-triene 7,7-dioxide
| Molecular Formula | C7H6O2S |
|---|---|
| Molecular Weight | 154.01 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 154.00885 |
| Heavy Atoms | 10 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 16065-50-2 |
|---|---|
| SMILES | C1C2=CC=CC=C2S1(=O)=O |
| InChIKey | MOLVQFOPTPGHIG-UHFFFAOYSA-N |
Product Overview
7-Thiabicyclo(4.2.0)octa-1,3,5-triene 7,7-dioxide (CAS 16065-50-2), with molecular formula C7H6O2S and molecular weight 154.01 g/mol. IUPAC: 7λ6-thiabicyclo[4.2.0]octa-1,3,5-triene 7,7-dioxide.
Chemical Property Profile of 7-Thiabicyclo(4.2.0)octa-1,3,5-triene 7,7-dioxide
Property Insights of 7-Thiabicyclo(4.2.0)octa-1,3,5-triene 7,7-dioxide
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Thiabicyclo(4.2.0)octa-1,3,5-triene 7,7-dioxide. With a topological polar surface area (TPSA) of 42.5 Ų, 7-Thiabicyclo(4.2.0)octa-1,3,5-triene 7,7-dioxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Thiabicyclo(4.2.0)octa-1,3,5-triene 7,7-dioxide has 0 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-Thiabicyclo(4.2.0)octa-1,3,5-triene 7,7-dioxide?
The CAS number of 7-Thiabicyclo(4.2.0)octa-1,3,5-triene 7,7-dioxide is 16065-50-2.
What is the molecular formula of 7-Thiabicyclo(4.2.0)octa-1,3,5-triene 7,7-dioxide?
The molecular formula of 7-Thiabicyclo(4.2.0)octa-1,3,5-triene 7,7-dioxide is C7H6O2S.
What is the molecular weight of 7-Thiabicyclo(4.2.0)octa-1,3,5-triene 7,7-dioxide?
The molecular weight of 7-Thiabicyclo(4.2.0)octa-1,3,5-triene 7,7-dioxide is 154.01 g/mol.
Where can I buy 7-Thiabicyclo(4.2.0)octa-1,3,5-triene 7,7-dioxide?
You can request a quote for 7-Thiabicyclo(4.2.0)octa-1,3,5-triene 7,7-dioxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Thiabicyclo(4.2.0)octa-1,3,5-triene 7,7-dioxide?
Yes, KEHONG BIO provides custom synthesis services for 7-Thiabicyclo(4.2.0)octa-1,3,5-triene 7,7-dioxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.