![9-Thiabicyclo[4.2.1]nona-2,4-diene structure](/static/products/5066/50669-04-0.webp)
9-Thiabicyclo[4.2.1]nona-2,4-diene
TL;DR: 9-Thiabicyclo[4.2.1]nona-2,4-diene (CAS 50669-04-0) is a chemical compound with molecular formula C8H10S and molecular weight 138.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-thiabicyclo[4.2.1]nona-2,4-diene
Also Known As: 9-thiabicyclo[4.2.1]nona-2,4-diene, 9-Thiabicyclo(4.2.1)nona-2,4-diene, 9-Thiabicylo[4.2.1]nona-2,4-diene, RefChem:313311
| Molecular Formula | C8H10S |
|---|---|
| Molecular Weight | 138.05 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 138.05032 |
| Heavy Atoms | 9 |
| Complexity | 140.0 |
Chemical Identifiers
| CAS Number | 50669-04-0 |
|---|---|
| SMILES | C1CC2C=CC=CC1S2 |
| InChIKey | HLEWYYGGPXROGP-UHFFFAOYSA-N |
Product Overview
9-Thiabicyclo[4.2.1]nona-2,4-diene (CAS 50669-04-0), with molecular formula C8H10S and molecular weight 138.05 g/mol. IUPAC: 9-thiabicyclo[4.2.1]nona-2,4-diene.
Chemical Property Profile of 9-Thiabicyclo[4.2.1]nona-2,4-diene
Property Insights of 9-Thiabicyclo[4.2.1]nona-2,4-diene
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-Thiabicyclo[4.2.1]nona-2,4-diene. With a topological polar surface area (TPSA) of 25.3 Ų, 9-Thiabicyclo[4.2.1]nona-2,4-diene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-Thiabicyclo[4.2.1]nona-2,4-diene has 0 hydrogen bond donor(s) and 1 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 9-Thiabicyclo[4.2.1]nona-2,4-diene?
The CAS number of 9-Thiabicyclo[4.2.1]nona-2,4-diene is 50669-04-0.
What is the molecular formula of 9-Thiabicyclo[4.2.1]nona-2,4-diene?
The molecular formula of 9-Thiabicyclo[4.2.1]nona-2,4-diene is C8H10S.
What is the molecular weight of 9-Thiabicyclo[4.2.1]nona-2,4-diene?
The molecular weight of 9-Thiabicyclo[4.2.1]nona-2,4-diene is 138.05 g/mol.
Where can I buy 9-Thiabicyclo[4.2.1]nona-2,4-diene?
You can request a quote for 9-Thiabicyclo[4.2.1]nona-2,4-diene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Thiabicyclo[4.2.1]nona-2,4-diene?
Yes, KEHONG BIO provides custom synthesis services for 9-Thiabicyclo[4.2.1]nona-2,4-diene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.