8-Thiatricyclo(2.2.1.1(sup 2,6))octane, 3,5-dichloro-, 8-oxide
TL;DR: 8-Thiatricyclo(2.2.1.1(sup 2,6))octane, 3,5-dichloro-, 8-oxide (CAS 13382-89-3) is a chemical compound with molecular formula C7H8Cl2OS and molecular weight 209.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,8-dichloro-4λ4-thiatricyclo[3.2.1.03,6]octane 4-oxide
Also Known As: 3,5-Dichloro-8-thiatricyclo(2.2.1.1(sup 2,6))octane oxide, 4-Thiatricyclo(3.2.1.0(3,6))octane, 2,8-dichloro-, 4-oxide, 8-Thiatricyclo(2.2.1.1(sup 2,6))octane, 3,5-dichloro-, 8-oxide, 4-Thiatricyclo(3.2.1.0(3,6))octane,2,8-dichloro-,4-oxide, 2,8-Dichloro-4lambda~4~-thiatricyclo[3.2.1.0~3,6~]octan-4-one
| Molecular Formula | C7H8Cl2OS |
|---|---|
| Molecular Weight | 209.97 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 36.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 209.96729 |
| Heavy Atoms | 11 |
| Complexity | 225.0 |
Chemical Identifiers
| CAS Number | 13382-89-3 |
|---|---|
| SMILES | C1C2C3C(C1C(C2S3=O)Cl)Cl |
| InChIKey | QITDJLZWBRGDSG-UHFFFAOYSA-N |
Product Overview
8-Thiatricyclo(2.2.1.1(sup 2,6))octane, 3,5-dichloro-, 8-oxide (CAS 13382-89-3), with molecular formula C7H8Cl2OS and molecular weight 209.97 g/mol. IUPAC: 2,8-dichloro-4λ4-thiatricyclo[3.2.1.03,6]octane 4-oxide.
Chemical Property Profile of 8-Thiatricyclo(2.2.1.1(sup 2,6))octane, 3,5-dichloro-, 8-oxide
Property Insights of 8-Thiatricyclo(2.2.1.1(sup 2,6))octane, 3,5-dichloro-, 8-oxide
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Thiatricyclo(2.2.1.1(sup 2,6))octane, 3,5-dichloro-, 8-oxide. With a topological polar surface area (TPSA) of 36.3 Ų, 8-Thiatricyclo(2.2.1.1(sup 2,6))octane, 3,5-dichloro-, 8-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-Thiatricyclo(2.2.1.1(sup 2,6))octane, 3,5-dichloro-, 8-oxide 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 8-Thiatricyclo(2.2.1.1(sup 2,6))octane, 3,5-dichloro-, 8-oxide?
The CAS number of 8-Thiatricyclo(2.2.1.1(sup 2,6))octane, 3,5-dichloro-, 8-oxide is 13382-89-3.
What is the molecular formula of 8-Thiatricyclo(2.2.1.1(sup 2,6))octane, 3,5-dichloro-, 8-oxide?
The molecular formula of 8-Thiatricyclo(2.2.1.1(sup 2,6))octane, 3,5-dichloro-, 8-oxide is C7H8Cl2OS.
What is the molecular weight of 8-Thiatricyclo(2.2.1.1(sup 2,6))octane, 3,5-dichloro-, 8-oxide?
The molecular weight of 8-Thiatricyclo(2.2.1.1(sup 2,6))octane, 3,5-dichloro-, 8-oxide is 209.97 g/mol.
Where can I buy 8-Thiatricyclo(2.2.1.1(sup 2,6))octane, 3,5-dichloro-, 8-oxide?
You can request a quote for 8-Thiatricyclo(2.2.1.1(sup 2,6))octane, 3,5-dichloro-, 8-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Thiatricyclo(2.2.1.1(sup 2,6))octane, 3,5-dichloro-, 8-oxide?
Yes, KEHONG BIO provides custom synthesis services for 8-Thiatricyclo(2.2.1.1(sup 2,6))octane, 3,5-dichloro-, 8-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.