![8-Thiabicyclo[4.3.0]non-3-ene structure](/static/products/7462/74626-69-0.webp)
8-Thiabicyclo[4.3.0]non-3-ene
TL;DR: 8-Thiabicyclo[4.3.0]non-3-ene (CAS 74626-69-0) 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.
1,3,3a,4,7,7a-hexahydro-2-benzothiophene
Also Known As: 8-Thiabicyclo[4.3.0]non-3-ene, 1,3,3a,4,7,7a-Hexahydro-2-benzothiophene, trans-8-thiabicyclo<4.3.0>non-3-ene, trans-8-thiabicyclo[4.3.0]non-3-ene, Benzo(c)thiophene, 1,3,3a,4,7,7a-hexahydro-
| Molecular Formula | C8H12S |
|---|---|
| Molecular Weight | 140.07 g/mol |
| LogP | 2.3 |
| 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 | 74626-69-0 |
|---|---|
| SMILES | C1C=CCC2C1CSC2 |
| InChIKey | ASTZLIXTXJMRFI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
8-Thiabicyclo[4.3.0]non-3-ene (CAS 74626-69-0), with molecular formula C8H12S and molecular weight 140.07 g/mol. IUPAC: 1,3,3a,4,7,7a-hexahydro-2-benzothiophene.
Chemical Property Profile of 8-Thiabicyclo[4.3.0]non-3-ene
Property Insights of 8-Thiabicyclo[4.3.0]non-3-ene
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Thiabicyclo[4.3.0]non-3-ene. With a topological polar surface area (TPSA) of 25.3 Ų, 8-Thiabicyclo[4.3.0]non-3-ene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 8-Thiabicyclo[4.3.0]non-3-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[4.3.0]non-3-ene?
The CAS number of 8-Thiabicyclo[4.3.0]non-3-ene is 74626-69-0.
What is the molecular formula of 8-Thiabicyclo[4.3.0]non-3-ene?
The molecular formula of 8-Thiabicyclo[4.3.0]non-3-ene is C8H12S.
What is the molecular weight of 8-Thiabicyclo[4.3.0]non-3-ene?
The molecular weight of 8-Thiabicyclo[4.3.0]non-3-ene is 140.07 g/mol.
Where can I buy 8-Thiabicyclo[4.3.0]non-3-ene?
You can request a quote for 8-Thiabicyclo[4.3.0]non-3-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[4.3.0]non-3-ene?
Yes, KEHONG BIO provides custom synthesis services for 8-Thiabicyclo[4.3.0]non-3-ene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.