![7-Thiabicyclo[4.2.0]octa-1,3,5-trien-8-one structure](/static/products/2108/21083-36-3.webp)
7-Thiabicyclo[4.2.0]octa-1,3,5-trien-8-one
TL;DR: 7-Thiabicyclo[4.2.0]octa-1,3,5-trien-8-one (CAS 21083-36-3) is a chemical compound with molecular formula C7H4OS and molecular weight 136.00 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-trien-8-one
Also Known As: benzothiet-2-one, 2H-1-Thiabenzocyclobutene-2-one, 7-Thiabicyclo[4.2.0]octa-1,3,5-trien-8-one, 2,4-Cyclohexadien-1-one,6-carbonyl, 7-Thiabicyclo(4.2.0)octa-1,3,5-trien-8-one
| Molecular Formula | C7H4OS |
|---|---|
| Molecular Weight | 136.00 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 135.99829 |
| Heavy Atoms | 9 |
| Complexity | 144.0 |
Chemical Identifiers
| CAS Number | 21083-36-3 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)S2 |
| InChIKey | CAEMCYVDPUUSQT-UHFFFAOYSA-N |
Product Overview
7-Thiabicyclo[4.2.0]octa-1,3,5-trien-8-one (CAS 21083-36-3), with molecular formula C7H4OS and molecular weight 136.00 g/mol. IUPAC: 7-thiabicyclo[4.2.0]octa-1,3,5-trien-8-one.
Chemical Property Profile of 7-Thiabicyclo[4.2.0]octa-1,3,5-trien-8-one
Property Insights of 7-Thiabicyclo[4.2.0]octa-1,3,5-trien-8-one
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Thiabicyclo[4.2.0]octa-1,3,5-trien-8-one. With a topological polar surface area (TPSA) of 42.4 Ų, 7-Thiabicyclo[4.2.0]octa-1,3,5-trien-8-one 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-trien-8-one has 0 hydrogen bond donor(s) and 2 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-trien-8-one?
The CAS number of 7-Thiabicyclo[4.2.0]octa-1,3,5-trien-8-one is 21083-36-3.
What is the molecular formula of 7-Thiabicyclo[4.2.0]octa-1,3,5-trien-8-one?
The molecular formula of 7-Thiabicyclo[4.2.0]octa-1,3,5-trien-8-one is C7H4OS.
What is the molecular weight of 7-Thiabicyclo[4.2.0]octa-1,3,5-trien-8-one?
The molecular weight of 7-Thiabicyclo[4.2.0]octa-1,3,5-trien-8-one is 136.00 g/mol.
Where can I buy 7-Thiabicyclo[4.2.0]octa-1,3,5-trien-8-one?
You can request a quote for 7-Thiabicyclo[4.2.0]octa-1,3,5-trien-8-one 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-trien-8-one?
Yes, KEHONG BIO provides custom synthesis services for 7-Thiabicyclo[4.2.0]octa-1,3,5-trien-8-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.