9H-thioxanthen-9-one, 2-fluoro-
TL;DR: 9H-thioxanthen-9-one, 2-fluoro- (CAS 60086-39-7) is a chemical compound with molecular formula C13H7FOS and molecular weight 230.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-fluorothioxanthen-9-one
Also Known As: 2-fluorothioxanthone, 2-fluoro-9H-thioxanthen-9-one, 2-fluorothioxanthen-9-one, 2-fluoro-9-thioxanthone, 9H-thioxanthen-9-one, 2-fluoro-
| Molecular Formula | C13H7FOS |
|---|---|
| Molecular Weight | 230.02 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 230.02016 |
| Heavy Atoms | 16 |
| Complexity | 294.0 |
Chemical Identifiers
| CAS Number | 60086-39-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(S2)C=CC(=C3)F |
| InChIKey | VVZWCWXLBDGDPJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
9H-thioxanthen-9-one, 2-fluoro- (CAS 60086-39-7), with molecular formula C13H7FOS and molecular weight 230.02 g/mol. IUPAC: 2-fluorothioxanthen-9-one.
Chemical Property Profile of 9H-thioxanthen-9-one, 2-fluoro-
Property Insights of 9H-thioxanthen-9-one, 2-fluoro-
The XLogP value of 4.1 indicates that 9H-thioxanthen-9-one, 2-fluoro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.4 Ų, 9H-thioxanthen-9-one, 2-fluoro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 9H-thioxanthen-9-one, 2-fluoro- has 0 hydrogen bond donor(s) and 3 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 9H-thioxanthen-9-one, 2-fluoro-?
The CAS number of 9H-thioxanthen-9-one, 2-fluoro- is 60086-39-7.
What is the molecular formula of 9H-thioxanthen-9-one, 2-fluoro-?
The molecular formula of 9H-thioxanthen-9-one, 2-fluoro- is C13H7FOS.
What is the molecular weight of 9H-thioxanthen-9-one, 2-fluoro-?
The molecular weight of 9H-thioxanthen-9-one, 2-fluoro- is 230.02 g/mol.
Where can I buy 9H-thioxanthen-9-one, 2-fluoro-?
You can request a quote for 9H-thioxanthen-9-one, 2-fluoro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9H-thioxanthen-9-one, 2-fluoro-?
Yes, KEHONG BIO provides custom synthesis services for 9H-thioxanthen-9-one, 2-fluoro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.