![7-Thiabicyclo[4.2.0]octa-1,3,5-triene structure](/static/products/6355/63559-01-3.webp)
7-Thiabicyclo[4.2.0]octa-1,3,5-triene
TL;DR: 7-Thiabicyclo[4.2.0]octa-1,3,5-triene (CAS 63559-01-3) is a chemical compound with molecular formula C7H6S and molecular weight 122.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-thiabicyclo[4.2.0]octa-1,3,5-triene
Also Known As: benzothiete, Benzothiet, 2H-benzo[b]thiete, 7-thiabicyclo[4.2.0]octa-1,3,5-triene, 7-thiabicyclo(4.2.0)octa-1,3,5-triene
| Molecular Formula | C7H6S |
|---|---|
| Molecular Weight | 122.02 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 25.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 122.01902 |
| Heavy Atoms | 8 |
| Complexity | 90.0 |
Chemical Identifiers
| CAS Number | 63559-01-3 |
|---|---|
| SMILES | C1C2=CC=CC=C2S1 |
| InChIKey | KUGJQUKMALCUKX-UHFFFAOYSA-N |
Product Overview
7-Thiabicyclo[4.2.0]octa-1,3,5-triene (CAS 63559-01-3), with molecular formula C7H6S and molecular weight 122.02 g/mol. IUPAC: 7-thiabicyclo[4.2.0]octa-1,3,5-triene.
Chemical Property Profile of 7-Thiabicyclo[4.2.0]octa-1,3,5-triene
Property Insights of 7-Thiabicyclo[4.2.0]octa-1,3,5-triene
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Thiabicyclo[4.2.0]octa-1,3,5-triene. With a topological polar surface area (TPSA) of 25.3 Ų, 7-Thiabicyclo[4.2.0]octa-1,3,5-triene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Thiabicyclo[4.2.0]octa-1,3,5-triene 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 7-Thiabicyclo[4.2.0]octa-1,3,5-triene?
The CAS number of 7-Thiabicyclo[4.2.0]octa-1,3,5-triene is 63559-01-3.
What is the molecular formula of 7-Thiabicyclo[4.2.0]octa-1,3,5-triene?
The molecular formula of 7-Thiabicyclo[4.2.0]octa-1,3,5-triene is C7H6S.
What is the molecular weight of 7-Thiabicyclo[4.2.0]octa-1,3,5-triene?
The molecular weight of 7-Thiabicyclo[4.2.0]octa-1,3,5-triene is 122.02 g/mol.
Where can I buy 7-Thiabicyclo[4.2.0]octa-1,3,5-triene?
You can request a quote for 7-Thiabicyclo[4.2.0]octa-1,3,5-triene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Thiabicyclo[4.2.0]octa-1,3,5-triene?
Yes, KEHONG BIO provides custom synthesis services for 7-Thiabicyclo[4.2.0]octa-1,3,5-triene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.