![9-Thiabicyclo[6.1.0]non-4-ene structure](/static/products/1378/13785-73-4.webp)
9-Thiabicyclo[6.1.0]non-4-ene
TL;DR: 9-Thiabicyclo[6.1.0]non-4-ene (CAS 13785-73-4) is a chemical compound with molecular formula C8H12S and molecular weight 140.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-thiabicyclo[6.1.0]non-4-ene
Also Known As: 9-Thiabicyclo[6.1.0]non-4-ene, Cyclooctene, 5,6-episulfide
| Molecular Formula | C8H12S |
|---|---|
| Molecular Weight | 140.07 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 140.06598 |
| Heavy Atoms | 9 |
| Complexity | 115.0 |
Chemical Identifiers
| CAS Number | 13785-73-4 |
|---|---|
| SMILES | C1CC2C(S2)CCC=C1 |
| InChIKey | FWVKDFMTBJUULG-UHFFFAOYSA-N |
Product Overview
9-Thiabicyclo[6.1.0]non-4-ene (CAS 13785-73-4), with molecular formula C8H12S and molecular weight 140.07 g/mol. IUPAC: 9-thiabicyclo[6.1.0]non-4-ene.
Chemical Property Profile of 9-Thiabicyclo[6.1.0]non-4-ene
Property Insights of 9-Thiabicyclo[6.1.0]non-4-ene
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 9-Thiabicyclo[6.1.0]non-4-ene. With a topological polar surface area (TPSA) of 25.3 Ų, 9-Thiabicyclo[6.1.0]non-4-ene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9-Thiabicyclo[6.1.0]non-4-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 9-Thiabicyclo[6.1.0]non-4-ene?
The CAS number of 9-Thiabicyclo[6.1.0]non-4-ene is 13785-73-4.
What is the molecular formula of 9-Thiabicyclo[6.1.0]non-4-ene?
The molecular formula of 9-Thiabicyclo[6.1.0]non-4-ene is C8H12S.
What is the molecular weight of 9-Thiabicyclo[6.1.0]non-4-ene?
The molecular weight of 9-Thiabicyclo[6.1.0]non-4-ene is 140.07 g/mol.
Where can I buy 9-Thiabicyclo[6.1.0]non-4-ene?
You can request a quote for 9-Thiabicyclo[6.1.0]non-4-ene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9-Thiabicyclo[6.1.0]non-4-ene?
Yes, KEHONG BIO provides custom synthesis services for 9-Thiabicyclo[6.1.0]non-4-ene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.