2-Ethylthioxanthen-9-one
TL;DR: 2-Ethylthioxanthen-9-one (CAS 5495-83-0) is a chemical compound with molecular formula C15H12OS and molecular weight 240.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethylthioxanthen-9-one
Also Known As: 2-ethylthioxanthen-9-one, 2-ethylthioxanthone, 2-Ethyl-9H-thioxanthen-9-one, 2-Ethyl-9H-thioxanthene-9-one, 2-ethyldibenzo[b,e]thiin-10-one
| Molecular Formula | C15H12OS |
|---|---|
| Molecular Weight | 240.06 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 240.06088 |
| Heavy Atoms | 17 |
| Complexity | 301.0 |
Chemical Identifiers
| CAS Number | 5495-83-0 |
|---|---|
| SMILES | CCC1=CC2=C(C=C1)SC3=CC=CC=C3C2=O |
| InChIKey | YJQMXVDKXSQCDI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Ethylthioxanthen-9-one (CAS 5495-83-0), with molecular formula C15H12OS and molecular weight 240.06 g/mol. IUPAC: 2-ethylthioxanthen-9-one.
Chemical Property Profile of 2-Ethylthioxanthen-9-one
Property Insights of 2-Ethylthioxanthen-9-one
The XLogP value of 4.8 indicates that 2-Ethylthioxanthen-9-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.4 Ų, 2-Ethylthioxanthen-9-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Ethylthioxanthen-9-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 2-Ethylthioxanthen-9-one?
The CAS number of 2-Ethylthioxanthen-9-one is 5495-83-0.
What is the molecular formula of 2-Ethylthioxanthen-9-one?
The molecular formula of 2-Ethylthioxanthen-9-one is C15H12OS.
What is the molecular weight of 2-Ethylthioxanthen-9-one?
The molecular weight of 2-Ethylthioxanthen-9-one is 240.06 g/mol.
Where can I buy 2-Ethylthioxanthen-9-one?
You can request a quote for 2-Ethylthioxanthen-9-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Ethylthioxanthen-9-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Ethylthioxanthen-9-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.