3-Chloro-9H-thioxanthen-9-one
TL;DR: 3-Chloro-9H-thioxanthen-9-one (CAS 6469-87-0) is a chemical compound with molecular formula C13H7ClOS and molecular weight 245.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chlorothioxanthen-9-one
Also Known As: 3-Chloro-9H-thioxanthen-9-one, 3-chlorothioxanthen-9-one, 3-chlorothioxanthenone, 3-chloro-thioxanthen-9-one, 9H-Thioxanthen-9-one,3-chloro-
| Molecular Formula | C13H7ClOS |
|---|---|
| Molecular Weight | 245.99 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 42.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 245.99062 |
| Heavy Atoms | 16 |
| Complexity | 294.0 |
Chemical Identifiers
| CAS Number | 6469-87-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C(=O)C3=C(S2)C=C(C=C3)Cl |
| InChIKey | WIRJDTJTGNEUAF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Chloro-9H-thioxanthen-9-one (CAS 6469-87-0), with molecular formula C13H7ClOS and molecular weight 245.99 g/mol. IUPAC: 3-chlorothioxanthen-9-one.
Chemical Property Profile of 3-Chloro-9H-thioxanthen-9-one
Property Insights of 3-Chloro-9H-thioxanthen-9-one
The XLogP value of 4.6 indicates that 3-Chloro-9H-thioxanthen-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, 3-Chloro-9H-thioxanthen-9-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-9H-thioxanthen-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 3-Chloro-9H-thioxanthen-9-one?
The CAS number of 3-Chloro-9H-thioxanthen-9-one is 6469-87-0.
What is the molecular formula of 3-Chloro-9H-thioxanthen-9-one?
The molecular formula of 3-Chloro-9H-thioxanthen-9-one is C13H7ClOS.
What is the molecular weight of 3-Chloro-9H-thioxanthen-9-one?
The molecular weight of 3-Chloro-9H-thioxanthen-9-one is 245.99 g/mol.
Where can I buy 3-Chloro-9H-thioxanthen-9-one?
You can request a quote for 3-Chloro-9H-thioxanthen-9-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-9H-thioxanthen-9-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-9H-thioxanthen-9-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.