![8-Thiabicyclo[3.2.1]oct-2-ene structure](/static/products/4069/40698-01-9.webp)
8-Thiabicyclo[3.2.1]oct-2-ene
TL;DR: 8-Thiabicyclo[3.2.1]oct-2-ene (CAS 40698-01-9) is a chemical compound with molecular formula C7H10S and molecular weight 126.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-thiabicyclo[3.2.1]oct-2-ene
Also Known As: 8-Thiabicyclo[3.2.1]oct-2-ene, 8-thiabicyclo[3.2.1]oct-3-ene, 8-Thiabicyclo(3.2.1)oct-2-ene, RefChem:312358
| Molecular Formula | C7H10S |
|---|---|
| Molecular Weight | 126.05 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 126.05032 |
| Heavy Atoms | 8 |
| Complexity | 118.0 |
Chemical Identifiers
| CAS Number | 40698-01-9 |
|---|---|
| SMILES | C1CC2C=CCC1S2 |
| InChIKey | BPMMXUHODKEHPU-UHFFFAOYSA-N |
Product Overview
8-Thiabicyclo[3.2.1]oct-2-ene (CAS 40698-01-9), with molecular formula C7H10S and molecular weight 126.05 g/mol. IUPAC: 8-thiabicyclo[3.2.1]oct-2-ene.
Chemical Property Profile of 8-Thiabicyclo[3.2.1]oct-2-ene
Property Insights of 8-Thiabicyclo[3.2.1]oct-2-ene
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Thiabicyclo[3.2.1]oct-2-ene. With a topological polar surface area (TPSA) of 25.3 Ų, 8-Thiabicyclo[3.2.1]oct-2-ene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-Thiabicyclo[3.2.1]oct-2-ene 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 8-Thiabicyclo[3.2.1]oct-2-ene?
The CAS number of 8-Thiabicyclo[3.2.1]oct-2-ene is 40698-01-9.
What is the molecular formula of 8-Thiabicyclo[3.2.1]oct-2-ene?
The molecular formula of 8-Thiabicyclo[3.2.1]oct-2-ene is C7H10S.
What is the molecular weight of 8-Thiabicyclo[3.2.1]oct-2-ene?
The molecular weight of 8-Thiabicyclo[3.2.1]oct-2-ene is 126.05 g/mol.
Where can I buy 8-Thiabicyclo[3.2.1]oct-2-ene?
You can request a quote for 8-Thiabicyclo[3.2.1]oct-2-ene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 8-Thiabicyclo[3.2.1]oct-2-ene?
Yes, KEHONG BIO provides custom synthesis services for 8-Thiabicyclo[3.2.1]oct-2-ene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.